data_General

_vrf_PLAT306_beforeIrradiation
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing?)
RESPONSE: Hydrogen atoms of water were not located.
;

_vrf_PLAT342_beforeIrradiation
;
PROBLEM: Low Bond Precision on C-C Bonds 0.02258 Ang.
RESPONSE: This is probably due to relatively large thermal parameters
of the whole structure by lower intensity in higher angle areas.
;

_vrf_PLAT430_beforeIrradiation
;
PROBLEM: Short Inter D...A Contact O5W O6W 2.61 Ang.
RESPONSE: This is due to strong hydrogen bonding of them or their large
thermal parameters.
;

_vrf_PLAT910_beforeIrradiation
;
PROBLEM: Missing # of FCF Reflections(s) Below Theta(Min) 26
RESPONSE: Due to the large cell parameters of this crystal, some reflections 
were overlapping with a beam stopper.
;


#==============================================================================
data_beforeIrradiation
 
_audit_creation_method            'SHELXL-2017/1'
_shelx_SHELXL_version_number      '2017/1'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety
 'C93.05 H109.57 Cl12 N16.53 O6 Pd6' 
_chemical_formula_sum
 'C93.05 H109.57 Cl12 N16.53 O6 Pd6' 
_chemical_formula_weight          2619.36

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl'  'Cl'   0.1484   0.1585
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pd'  'Pd'  -0.9988   1.0072
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            14
_space_group_name_H-M_alt         'P 21/c'
_space_group_name_Hall            '-P 2ybc'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    19.6067(4)
_cell_length_b                    51.7809(13)
_cell_length_c                    14.2567(3)
_cell_angle_alpha                 90
_cell_angle_beta                  90.818(2)
_cell_angle_gamma                 90
_cell_volume                      14472.7(6)
_cell_formula_units_Z             4
_cell_measurement_temperature     93(2)
_cell_measurement_reflns_used     34685
_cell_measurement_theta_min       2.08
_cell_measurement_theta_max       29.53
 
_exptl_crystal_description        platelet
_exptl_crystal_colour             yellow
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.202          
_exptl_crystal_F_000              5246
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.438
_exptl_crystal_size_mid           0.268
_exptl_crystal_size_min           0.063
_exptl_absorpt_coefficient_mu     0.994
_shelx_estimated_absorpt_T_min    0.670
_shelx_estimated_absorpt_T_max    0.940
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       93(2)
_diffrn_radiation_wavelength      0.71075
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Rigaku XtaLAB P200'
_diffrn_measurement_method        ω
_diffrn_detector_area_resol_mean  5.811
_diffrn_reflns_number             137187
_diffrn_reflns_av_unetI/netI      0.0715
_diffrn_reflns_av_R_equivalents   0.0725
_diffrn_reflns_limit_h_min        -25
_diffrn_reflns_limit_h_max        25
_diffrn_reflns_limit_k_min        -64
_diffrn_reflns_limit_k_max        67
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          2.536
_diffrn_reflns_theta_max          27.500
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.995
_diffrn_measured_fraction_theta_full  0.997
_diffrn_reflns_Laue_measured_fraction_max    0.995
_diffrn_reflns_Laue_measured_fraction_full   0.997
_diffrn_reflns_point_group_measured_fraction_max   0.995
_diffrn_reflns_point_group_measured_fraction_full  0.997
_reflns_number_total              33116
_reflns_number_gt                 25280
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.

Several restraints (bond distance and thermal parameters) were applied to 
Pd3LCl6 and solvent molecules to avoid collapse of the structures during 
least-squares refinement. All solvents were refined isotropically.
Hydrogen atoms of water molecules could not be located in the difference 
electron density maps.
;
 
_computing_data_collection
                                   'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_cell_refinement
                                   'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_reduction
                                   'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_structure_solution
                                      'SHELXS Version 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement
                                      'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material
                                        'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_molecular_graphics                     'CrystalStructure 4.2.2'
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+661.6981P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          33116
_refine_ls_number_parameters      1127
_refine_ls_number_restraints      486
_refine_ls_R_factor_all           0.1793
_refine_ls_R_factor_gt            0.1544
_refine_ls_wR_factor_ref          0.3302
_refine_ls_wR_factor_gt           0.3196
_refine_ls_goodness_of_fit_ref    1.177
_refine_ls_restrained_S_all       1.171
_refine_ls_shift/su_max           0.001
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Pd1 Pd 1.02874(5) 0.48555(2) 0.82777(7) 0.0252(2) Uani 1 1 d . . . . .
Pd2 Pd 0.58050(4) 0.48733(2) 1.01276(5) 0.0188(2) Uani 1 1 d . . . . .
Pd3 Pd 0.71259(5) 0.52075(2) 0.40308(6) 0.0264(2) Uani 1 1 d . . . . .
Pd4 Pd 0.56830(5) 0.57696(2) 0.71809(6) 0.0272(2) Uani 1 1 d . . . . .
Pd5 Pd 0.66817(15) 0.74593(4) 0.77518(16) 0.1035(9) Uani 1 1 d . . . . .
Pd6 Pd 0.80992(8) 0.66236(3) 1.24018(10) 0.0486(3) Uani 1 1 d . . . . .
Cl1 Cl 1.12104(16) 0.50223(7) 0.7491(2) 0.0309(7) Uani 1 1 d . . . . .
Cl2 Cl 0.99943(18) 0.52555(7) 0.8854(2) 0.0341(8) Uani 1 1 d . . . . .
Cl3 Cl 0.57573(15) 0.49136(7) 1.17380(18) 0.0239(6) Uani 1 1 d . . . . .
Cl4 Cl 0.58042(14) 0.53136(6) 0.98788(18) 0.0222(6) Uani 1 1 d . . . . .
Cl5 Cl 0.62701(18) 0.54971(8) 0.3720(2) 0.0366(8) Uani 1 1 d . . . . .
Cl6 Cl 0.79107(19) 0.55248(8) 0.4366(2) 0.0401(9) Uani 1 1 d . . . . .
Cl7 Cl 0.47396(17) 0.58603(7) 0.8057(2) 0.0320(7) Uani 1 1 d . . . . .
Cl8 Cl 0.50739(19) 0.57592(9) 0.5790(2) 0.0406(9) Uani 1 1 d . . . . .
Cl9 Cl 0.5496(6) 0.7412(2) 0.7726(6) 0.149(4) Uani 1 1 d . . . . .
Cl10 Cl 0.6639(6) 0.78511(13) 0.8502(6) 0.153(5) Uani 1 1 d . . . . .
Cl11 Cl 0.8478(3) 0.70263(10) 1.1977(5) 0.0734(16) Uani 1 1 d . . . . .
Cl12 Cl 0.9186(3) 0.64963(10) 1.2790(4) 0.0680(14) Uani 1 1 d . . . . .
O1W O 0.5809(11) 0.7077(4) 0.5450(15) 0.118(7) Uiso 1 1 d . . . . .
O2W O 0.8459(10) 0.6221(4) 0.4699(14) 0.103(6) Uiso 1 1 d . . . . .
O3W O 1.046(2) 0.6185(9) 0.464(3) 0.268(19) Uiso 1 1 d . . . . .
O4W O 0.511(2) 0.6592(8) 0.947(3) 0.243(17) Uiso 1 1 d . . . . .
O5W O 1.055(2) 0.6196(8) 0.735(3) 0.249(18) Uiso 1 1 d . . . . .
O6W O 0.965(3) 0.6509(10) 0.661(4) 0.32(2) Uiso 1 1 d . . . . .
N1 N 1.0474(5) 0.4486(2) 0.7819(8) 0.029(3) Uani 1 1 d . . . . .
H1 H 1.095104 0.445021 0.798985 0.035 Uiso 1 1 calc R U . . .
N1S N 0.8325(6) 0.5521(2) 1.0910(9) 0.037(3) Uiso 1 1 d D . . . .
N2 N 0.9502(5) 0.4689(2) 0.8984(8) 0.026(2) Uani 1 1 d . . . . .
H2 H 0.951523 0.474981 0.963513 0.031 Uiso 1 1 calc R U . . .
N2S N 0.8998(14) 0.6403(4) 0.8842(19) 0.108(9) Uiso 0.93(3) 1 d D . P . .
N3 N 0.5869(5) 0.4479(2) 1.0241(6) 0.0218(17) Uani 1 1 d . U . . .
H3 H 0.552101 0.443116 1.069659 0.026 Uiso 1 1 calc R U . . .
N3S N 0.7402(19) 0.4040(7) 0.674(3) 0.132(14) Uiso 0.87(4) 1 d D . P . .
N4 N 0.5725(5) 0.4803(2) 0.8711(6) 0.0215(16) Uani 1 1 d . U . . .
H4 H 0.535473 0.491241 0.846699 0.026 Uiso 1 1 calc R U . . .
N4S N 0.8963(12) 0.5872(5) 0.615(2) 0.086(9) Uiso 0.74(3) 1 d D . P . .
N5 N 0.6527(5) 0.4902(2) 0.3671(7) 0.0287(14) Uani 1 1 d . U . . .
H5 H 0.638674 0.493513 0.301996 0.034 Uiso 1 1 calc R U . . .
N5S N 1.057(4) 0.6905(15) 0.500(4) 0.36(5) Uiso 0.97(5) 1 d D . P . .
N6 N 0.7821(6) 0.4930(2) 0.4330(7) 0.0294(15) Uani 1 1 d . U . . .
H6 H 0.825530 0.497788 0.404601 0.035 Uiso 1 1 calc R U . . .
N7 N 0.6289(5) 0.5760(2) 0.8384(7) 0.0279(18) Uani 1 1 d D U . . .
H7 H 0.606112 0.564946 0.884129 0.033 Uiso 1 1 calc R U . . .
N8 N 0.6582(5) 0.5699(2) 0.6494(7) 0.0319(19) Uani 1 1 d D U . . .
H8 H 0.649593 0.555219 0.607670 0.038 Uiso 1 1 calc R U . . .
N9 N 0.6786(11) 0.7121(3) 0.7092(14) 0.090(5) Uani 1 1 d D U . . .
H9 H 0.644322 0.711078 0.658526 0.108 Uiso 1 1 calc R U . . .
N10 N 0.7690(12) 0.7480(3) 0.7735(13) 0.094(5) Uani 1 1 d D U . . .
H10 H 0.779980 0.764913 0.746688 0.113 Uiso 1 1 calc R U . . .
N11 N 0.7110(7) 0.6710(2) 1.2100(7) 0.0394(16) Uani 1 1 d D U . . .
H11 H 0.703125 0.688624 1.232331 0.047 Uiso 1 1 calc R U . . .
N12 N 0.7716(6) 0.6293(2) 1.2909(8) 0.0398(16) Uani 1 1 d D U . . .
H12 H 0.794084 0.626709 1.352033 0.048 Uiso 1 1 calc R U . . .
C1 C 1.0069(8) 0.4309(3) 0.8382(11) 0.037(3) Uani 1 1 d . . . . .
C1S C 0.7869(6) 0.5426(3) 1.1219(10) 0.032(3) Uiso 1 1 d D . . . .
C1T C 0.7241(6) 0.5302(3) 1.1584(9) 0.030(3) Uiso 1 1 d D . . . .
H1A H 0.736305 0.514903 1.192995 0.035 Uiso 1 1 calc R U . . .
H1B H 0.694488 0.525581 1.106849 0.035 Uiso 1 1 calc R U . . .
H1C H 0.701055 0.542017 1.198880 0.035 Uiso 1 1 calc R U . . .
C2 C 1.0152(9) 0.4042(4) 0.8323(14) 0.052(4) Uani 1 1 d . . . . .
H2A H 1.044386 0.397252 0.788136 0.062 Uiso 1 1 calc R U . . .
C2S C 0.9087(12) 0.6190(4) 0.8816(17) 0.069(7) Uiso 0.93(3) 1 d D . P . .
C2T C 0.9209(12) 0.5907(4) 0.8901(17) 0.068(7) Uiso 0.93(3) 1 d D . P . .
H2B H 0.893239 0.581750 0.844557 0.082 Uiso 0.93(3) 1 calc R U P . .
H2C H 0.909100 0.585112 0.951950 0.082 Uiso 0.93(3) 1 calc R U P . .
H2D H 0.968129 0.587115 0.879287 0.082 Uiso 0.93(3) 1 calc R U P . .
C3 C 0.9803(11) 0.3882(4) 0.8917(17) 0.072(7) Uani 1 1 d . . . . .
H3A H 0.985742 0.370406 0.887964 0.086 Uiso 1 1 calc R U . . .
C3S C 0.695(2) 0.3971(10) 0.636(3) 0.15(2) Uiso 0.87(4) 1 d D . P . .
C3T C 0.637(3) 0.3861(14) 0.577(5) 0.28(4) Uiso 0.87(4) 1 d D . P . .
H3B H 0.656116 0.376341 0.525772 0.338 Uiso 0.87(4) 1 calc R U P . .
H3C H 0.610087 0.399960 0.551804 0.338 Uiso 0.87(4) 1 calc R U P . .
H3D H 0.609737 0.375055 0.614316 0.338 Uiso 0.87(4) 1 calc R U P . .
C4 C 0.9365(10) 0.3989(4) 0.9576(17) 0.066(6) Uani 1 1 d . . . . .
H4A H 0.913965 0.388019 0.998630 0.079 Uiso 1 1 calc R U . . .
C4S C 0.9428(10) 0.5751(4) 0.6280(17) 0.048(6) Uiso 0.74(3) 1 d D . P . .
C4T C 1.0063(10) 0.5601(5) 0.6424(17) 0.052(7) Uiso 0.74(3) 1 d D . P . .
H4B H 1.039187 0.570433 0.675922 0.062 Uiso 0.74(3) 1 calc R U P . .
H4C H 1.024391 0.555266 0.582666 0.062 Uiso 0.74(3) 1 calc R U P . .
H4D H 0.996636 0.544812 0.678002 0.062 Uiso 0.74(3) 1 calc R U P . .
C5 C 0.9259(7) 0.4249(4) 0.9639(12) 0.050(5) Uani 1 1 d . . . . .
H5A H 0.896350 0.432053 1.007132 0.060 Uiso 1 1 calc R U . . .
C5S C 1.031(4) 0.6977(15) 0.435(5) 0.29(4) Uiso 0.97(5) 1 d D . P . .
C5T C 1.004(2) 0.7120(9) 0.351(3) 0.19(2) Uiso 0.97(5) 1 d D . P . .
H5B H 1.034197 0.709331 0.298961 0.223 Uiso 0.97(5) 1 calc R U P . .
H5C H 1.001795 0.730087 0.364831 0.223 Uiso 0.97(5) 1 calc R U P . .
H5D H 0.959595 0.705663 0.334773 0.223 Uiso 0.97(5) 1 calc R U P . .
C6 C 0.9645(7) 0.4407(3) 0.8972(10) 0.033(3) Uani 1 1 d . . . . .
C7 C 0.8819(6) 0.4766(3) 0.8539(10) 0.034(3) Uani 1 1 d . . . . .
H7A H 0.878909 0.495324 0.852163 0.041 Uiso 1 1 calc R U . . .
H7B H 0.880224 0.470442 0.789683 0.041 Uiso 1 1 calc R U . . .
C8 C 0.8217(7) 0.4662(3) 0.9049(10) 0.033(3) Uani 1 1 d . . . . .
C9 C 0.7860(7) 0.4453(3) 0.8718(9) 0.032(3) Uani 1 1 d . . . . .
H9A H 0.798329 0.437590 0.815563 0.039 Uiso 1 1 calc R U . . .
C10 C 0.7308(6) 0.4353(3) 0.9222(9) 0.027(3) Uani 1 1 d . . . . .
H10A H 0.707085 0.421118 0.899014 0.033 Uiso 1 1 calc R U . . .
C11 C 0.7112(6) 0.4465(3) 1.0063(9) 0.031(3) Uani 1 1 d . . . . .
C12 C 0.7490(7) 0.4673(3) 1.0411(8) 0.026(3) Uani 1 1 d . . . . .
H12A H 0.737996 0.474709 1.098359 0.032 Uiso 1 1 calc R U . . .
C13 C 0.8029(6) 0.4769(3) 0.9899(9) 0.028(3) Uani 1 1 d . . . . .
H13 H 0.827216 0.490964 1.013285 0.033 Uiso 1 1 calc R U . . .
C14 C 0.6510(6) 0.4364(3) 1.0607(8) 0.027(3) Uani 1 1 d . . . . .
H14A H 0.648757 0.417713 1.055180 0.033 Uiso 1 1 calc R U . . .
H14B H 0.656728 0.440651 1.126619 0.033 Uiso 1 1 calc R U . . .
C15 C 0.5633(6) 0.4366(3) 0.9347(8) 0.0243(14) Uani 1 1 d . U . . .
C16 C 0.5477(7) 0.4107(3) 0.9235(9) 0.0293(17) Uani 1 1 d . U . . .
H16 H 0.557471 0.399161 0.971677 0.035 Uiso 1 1 calc R U . . .
C17 C 0.5172(7) 0.4018(3) 0.8397(9) 0.0323(18) Uani 1 1 d . U . . .
H17 H 0.506366 0.384459 0.832083 0.039 Uiso 1 1 calc R U . . .
C18 C 0.5037(7) 0.4195(3) 0.7684(9) 0.0301(17) Uani 1 1 d . U . . .
H18 H 0.483765 0.413695 0.712691 0.036 Uiso 1 1 calc R U . . .
C19 C 0.5187(6) 0.4448(3) 0.7776(8) 0.0261(16) Uani 1 1 d . U . . .
H19 H 0.507737 0.456244 0.729356 0.031 Uiso 1 1 calc R U . . .
C20 C 0.5508(6) 0.4539(3) 0.8600(8) 0.0233(14) Uani 1 1 d . U . . .
C21 C 0.6365(6) 0.4884(3) 0.8223(8) 0.0225(18) Uani 1 1 d . U . . .
H21A H 0.673562 0.476980 0.840820 0.027 Uiso 1 1 calc R U . . .
H21B H 0.648720 0.505783 0.841608 0.027 Uiso 1 1 calc R U . . .
C22 C 0.6277(6) 0.4877(3) 0.7167(8) 0.0221(15) Uani 1 1 d . U . . .
C23 C 0.6410(6) 0.4637(3) 0.6660(8) 0.0222(16) Uani 1 1 d . U . . .
H23 H 0.657516 0.448851 0.695229 0.027 Uiso 1 1 calc R U . . .
C24 C 0.6266(6) 0.4651(3) 0.5679(8) 0.0252(16) Uani 1 1 d . U . . .
H24 H 0.635876 0.450667 0.531313 0.030 Uiso 1 1 calc R U . . .
C25 C 0.5995(6) 0.4866(3) 0.5240(8) 0.0254(15) Uani 1 1 d . U . . .
C26 C 0.5863(6) 0.5083(3) 0.5751(8) 0.0258(16) Uani 1 1 d . U . . .
H26 H 0.569445 0.523047 0.545389 0.031 Uiso 1 1 calc R U . . .
C27 C 0.5980(6) 0.5085(3) 0.6720(8) 0.0237(16) Uani 1 1 d . U . . .
H27 H 0.585554 0.522847 0.706844 0.028 Uiso 1 1 calc R U . . .
C28 C 0.5873(6) 0.4869(3) 0.4187(8) 0.0281(19) Uani 1 1 d . U . . .
H28A H 0.565942 0.470759 0.399656 0.034 Uiso 1 1 calc R U . . .
H28B H 0.556473 0.500845 0.402340 0.034 Uiso 1 1 calc R U . . .
C29 C 0.6941(7) 0.4664(3) 0.3630(8) 0.0298(12) Uani 1 1 d . U . . .
C30 C 0.6681(7) 0.4440(3) 0.3243(8) 0.0317(13) Uani 1 1 d . U . . .
H30 H 0.622951 0.443158 0.303740 0.038 Uiso 1 1 calc R U . . .
C31 C 0.7096(7) 0.4234(3) 0.3172(9) 0.0335(14) Uani 1 1 d . U . . .
H31 H 0.692428 0.408006 0.293210 0.040 Uiso 1 1 calc R U . . .
C32 C 0.7784(7) 0.4249(3) 0.3454(9) 0.0341(14) Uani 1 1 d . U . . .
H32 H 0.806467 0.410496 0.339781 0.041 Uiso 1 1 calc R U . . .
C33 C 0.8043(7) 0.4476(3) 0.3813(9) 0.0325(13) Uani 1 1 d . U . . .
H33 H 0.849980 0.449656 0.398193 0.039 Uiso 1 1 calc R U . . .
C34 C 0.7575(7) 0.4668(3) 0.3900(8) 0.0299(12) Uani 1 1 d . U . . .
C35 C 0.7918(7) 0.4923(4) 0.5400(8) 0.037(4) Uani 1 1 d . . . . .
H35A H 0.793644 0.509829 0.563451 0.044 Uiso 1 1 calc R U . . .
H35B H 0.752473 0.483945 0.567280 0.044 Uiso 1 1 calc R U . . .
C36 C 0.8550(6) 0.4783(3) 0.5722(9) 0.034(3) Uani 1 1 d . . . . .
C37 C 0.8564(8) 0.4532(3) 0.6034(10) 0.040(4) Uani 1 1 d . . . . .
H37 H 0.816412 0.443549 0.603023 0.048 Uiso 1 1 calc R U . . .
C38 C 0.9177(8) 0.4419(4) 0.6362(11) 0.041(4) Uani 1 1 d . . . . .
H38 H 0.917743 0.424919 0.657060 0.049 Uiso 1 1 calc R U . . .
C39 C 0.9774(6) 0.4558(3) 0.6376(9) 0.031(3) Uani 1 1 d . . . . .
C40 C 0.9766(7) 0.4814(3) 0.6078(9) 0.034(3) Uani 1 1 d . . . . .
H40 H 1.016382 0.491167 0.609110 0.041 Uiso 1 1 calc R U . . .
C41 C 0.9158(8) 0.4921(3) 0.5761(9) 0.037(3) Uani 1 1 d . . . . .
H41 H 0.915633 0.509243 0.556556 0.045 Uiso 1 1 calc R U . . .
C42 C 1.0424(7) 0.4448(3) 0.6781(11) 0.040(4) Uani 1 1 d . . . . .
H42A H 1.044415 0.426432 0.664164 0.048 Uiso 1 1 calc R U . . .
H42B H 1.081064 0.452987 0.648595 0.048 Uiso 1 1 calc R U . . .
C43 C 0.6927(6) 0.5631(3) 0.8124(9) 0.0303(16) Uani 1 1 d D U . . .
C44 C 0.7376(7) 0.5541(3) 0.8827(9) 0.0322(18) Uani 1 1 d . U . . .
H44 H 0.726878 0.555755 0.945763 0.039 Uiso 1 1 calc R U . . .
C45 C 0.7975(7) 0.5427(3) 0.8565(9) 0.0345(18) Uani 1 1 d . U . . .
H45 H 0.827661 0.536179 0.901621 0.041 Uiso 1 1 calc R U . . .
C46 C 0.8128(7) 0.5409(3) 0.7611(9) 0.0350(18) Uani 1 1 d . U . . .
H46 H 0.852982 0.532878 0.743261 0.042 Uiso 1 1 calc R U . . .
C47 C 0.7703(7) 0.5507(3) 0.6942(9) 0.0337(18) Uani 1 1 d . U . . .
H47 H 0.782516 0.550187 0.631424 0.040 Uiso 1 1 calc R U . . .
C48 C 0.7091(6) 0.5613(3) 0.7194(8) 0.0318(16) Uani 1 1 d D U . . .
C49 C 0.6829(9) 0.5916(3) 0.5887(9) 0.048(5) Uani 1 1 d D . . . .
H49A H 0.654348 0.592681 0.532760 0.058 Uiso 1 1 calc R U . . .
H49B H 0.729177 0.587990 0.569429 0.058 Uiso 1 1 calc R U . . .
C50 C 0.6813(8) 0.6171(3) 0.6401(10) 0.046(4) Uani 1 1 d D . . . .
C51 C 0.6196(10) 0.6313(4) 0.6389(11) 0.048(4) Uani 1 1 d . . . . .
H51 H 0.582323 0.624779 0.605587 0.058 Uiso 1 1 calc R U . . .
C52 C 0.6130(10) 0.6540(4) 0.6842(11) 0.053(5) Uani 1 1 d . . . . .
H52 H 0.571522 0.662734 0.684048 0.064 Uiso 1 1 calc R U . . .
C53 C 0.6700(11) 0.6642(4) 0.7315(11) 0.057(5) Uani 1 1 d D . . . .
C54 C 0.7318(11) 0.6505(4) 0.7338(13) 0.058(5) Uani 1 1 d . . . . .
H54 H 0.769532 0.657183 0.765620 0.069 Uiso 1 1 calc R U . . .
C55 C 0.7363(9) 0.6269(4) 0.6888(12) 0.052(5) Uani 1 1 d . . . . .
H55 H 0.776959 0.617679 0.691549 0.062 Uiso 1 1 calc R U . . .
C56 C 0.6656(14) 0.6905(3) 0.7781(14) 0.080(7) Uani 1 1 d D . . . .
H56A H 0.620658 0.692631 0.804638 0.096 Uiso 1 1 calc R U . . .
H56B H 0.698901 0.691437 0.828969 0.096 Uiso 1 1 calc R U . . .
C57 C 0.7470(11) 0.7125(4) 0.6673(15) 0.091(4) Uani 1 1 d D U . . .
C58 C 0.7589(13) 0.6956(4) 0.5898(15) 0.098(5) Uani 1 1 d D U . . .
H58 H 0.725051 0.684843 0.565498 0.117 Uiso 1 1 calc R U . . .
C59 C 0.8249(14) 0.6963(4) 0.5526(16) 0.103(5) Uani 1 1 d D U . . .
H59 H 0.835486 0.685914 0.501651 0.123 Uiso 1 1 calc R U . . .
C60 C 0.8734(14) 0.7121(4) 0.5908(17) 0.108(5) Uani 1 1 d D U . . .
H60 H 0.916817 0.711970 0.565397 0.129 Uiso 1 1 calc R U . . .
C61 C 0.8608(13) 0.7286(4) 0.6667(16) 0.105(5) Uani 1 1 d D U . . .
H61 H 0.894933 0.739330 0.690314 0.126 Uiso 1 1 calc R U . . .
C62 C 0.7951(14) 0.7285(3) 0.7066(14) 0.096(4) Uani 1 1 d D U . . .
C63 C 0.8106(15) 0.7459(4) 0.8631(15) 0.109(11) Uani 1 1 d D . . . .
H63A H 0.813242 0.762735 0.892482 0.131 Uiso 1 1 calc R U . . .
H63B H 0.856597 0.740614 0.847846 0.131 Uiso 1 1 calc R U . . .
C64 C 0.7815(17) 0.7268(4) 0.9322(17) 0.098(10) Uani 1 1 d D . . . .
C65 C 0.7298(15) 0.7330(4) 0.9925(16) 0.085(8) Uani 1 1 d . . . . .
H65 H 0.714928 0.749972 0.996094 0.103 Uiso 1 1 calc R U . . .
C66 C 0.6995(13) 0.7144(4) 1.0479(16) 0.075(7) Uani 1 1 d . . . . .
H66 H 0.663410 0.719002 1.085938 0.090 Uiso 1 1 calc R U . . .
C67 C 0.7215(10) 0.6895(4) 1.0477(14) 0.060(5) Uani 1 1 d D . . . .
C68 C 0.7758(10) 0.6832(4) 0.9907(15) 0.063(6) Uani 1 1 d . . . . .
H68 H 0.792121 0.666373 0.990478 0.076 Uiso 1 1 calc R U . . .
C69 C 0.8059(12) 0.7014(3) 0.9345(15) 0.064(6) Uani 1 1 d . . . . .
H69 H 0.842725 0.696821 0.897696 0.077 Uiso 1 1 calc R U . . .
C70 C 0.6861(10) 0.6700(3) 1.1096(10) 0.055(5) Uani 1 1 d D . . . .
H70A H 0.637402 0.673273 1.107658 0.066 Uiso 1 1 calc R U . . .
H70B H 0.693754 0.652828 1.084861 0.066 Uiso 1 1 calc R U . . .
C71 C 0.6722(8) 0.6539(2) 1.2699(8) 0.0379(14) Uani 1 1 d D U . . .
C72 C 0.6024(8) 0.6592(3) 1.2828(9) 0.0402(15) Uani 1 1 d D U . . .
H72 H 0.581807 0.673214 1.253282 0.048 Uiso 1 1 calc R U . . .
C73 C 0.5635(8) 0.6425(3) 1.3424(9) 0.0412(15) Uani 1 1 d D U . . .
H73 H 0.517601 0.645553 1.353652 0.049 Uiso 1 1 calc R U . . .
C74 C 0.5971(8) 0.6218(3) 1.3818(9) 0.0409(15) Uani 1 1 d D U . . .
H74 H 0.572508 0.610762 1.420204 0.049 Uiso 1 1 calc R U . . .
C75 C 0.6619(8) 0.6166(3) 1.3688(9) 0.0401(15) Uani 1 1 d D U . . .
H75 H 0.682382 0.602346 1.397341 0.048 Uiso 1 1 calc R U . . .
C76 C 0.6994(7) 0.6330(3) 1.3106(9) 0.0394(14) Uani 1 1 d D U . . .
C77 C 0.7824(9) 0.6046(3) 1.2373(9) 0.039(4) Uani 1 1 d D . . . .
H77A H 0.766634 0.590158 1.274727 0.046 Uiso 1 1 calc R U . . .
H77B H 0.830827 0.602207 1.227219 0.046 Uiso 1 1 calc R U . . .
C78 C 0.7455(6) 0.6042(3) 1.1435(8) 0.024(3) Uani 1 1 d D . . . .
C79 C 0.6781(8) 0.5954(3) 1.1388(9) 0.036(3) Uani 1 1 d . . . . .
H79 H 0.656898 0.589625 1.192806 0.043 Uiso 1 1 calc R U . . .
C80 C 0.6422(8) 0.5954(3) 1.0520(9) 0.030(3) Uani 1 1 d . . . . .
H80 H 0.596881 0.590110 1.049146 0.036 Uiso 1 1 calc R U . . .
C81 C 0.6746(7) 0.6031(3) 0.9719(8) 0.027(3) Uani 1 1 d D . . . .
C82 C 0.7414(7) 0.6118(3) 0.9772(10) 0.034(3) Uani 1 1 d . . . . .
H82 H 0.763600 0.616918 0.923033 0.040 Uiso 1 1 calc R U . . .
C83 C 0.7752(8) 0.6128(3) 1.0632(11) 0.040(4) Uani 1 1 d . . . . .
H83 H 0.819132 0.619501 1.066408 0.048 Uiso 1 1 calc R U . . .
C84 C 0.6345(7) 0.6027(3) 0.8804(8) 0.034(3) Uani 1 1 d D . . . .
H84A H 0.588958 0.609280 0.891214 0.040 Uiso 1 1 calc R U . . .
H84B H 0.656309 0.614026 0.835868 0.040 Uiso 1 1 calc R U . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Pd1 N2 2.042(11) . ?
Pd1 N1 2.057(12) . ?
Pd1 Cl2 2.304(4) . ?
Pd1 Cl1 2.310(3) . ?
Pd2 N3 2.052(11) . ?
Pd2 N4 2.055(9) . ?
Pd2 Cl4 2.307(3) . ?
Pd2 Cl3 2.309(3) . ?
Pd3 N6 2.021(12) . ?
Pd3 N5 2.032(12) . ?
Pd3 Cl5 2.289(4) . ?
Pd3 Cl6 2.297(4) . ?
Pd4 N8 2.061(11) . ?
Pd4 N7 2.074(10) . ?
Pd4 Cl7 2.296(3) . ?
Pd4 Cl8 2.301(3) . ?
Pd5 N10 1.98(2) . ?
Pd5 N9 2.001(19) . ?
Pd5 Cl10 2.296(8) . ?
Pd5 Cl9 2.337(12) . ?
Pd6 N12 2.009(13) . ?
Pd6 N11 2.031(14) . ?
Pd6 Cl12 2.291(5) . ?
Pd6 Cl11 2.298(5) . ?
N1 C1 1.460(19) . ?
N1 C42 1.496(19) . ?
N1 H1 0.9800 . ?
N1S C1S 1.118(12) . ?
N2 C6 1.489(18) . ?
N2 C7 1.526(16) . ?
N2 H2 0.9800 . ?
N2S C2S 1.118(15) . ?
N3 C15 1.470(15) . ?
N3 C14 1.479(15) . ?
N3 H3 0.9800 . ?
N3S C3S 1.103(16) . ?
N4 C20 1.438(18) . ?
N4 C21 1.505(14) . ?
N4 H4 0.9800 . ?
N4S C4S 1.121(15) . ?
N5 C29 1.476(18) . ?
N5 C28 1.496(15) . ?
N5 H5 0.9800 . ?
N5S C5S 1.112(18) . ?
N6 C35 1.534(15) . ?
N6 C34 1.562(19) . ?
N6 H6 0.9800 . ?
N7 C43 1.469(13) . ?
N7 C84 1.508(13) . ?
N7 H7 0.9800 . ?
N8 C48 1.472(13) . ?
N8 C49 1.500(13) . ?
N8 H8 0.9800 . ?
N9 C57 1.477(15) . ?
N9 C56 1.513(15) . ?
N9 H9 0.9800 . ?
N10 C62 1.488(15) . ?
N10 C63 1.509(16) . ?
N10 H10 0.9800 . ?
N11 C71 1.453(13) . ?
N11 C70 1.506(14) . ?
N11 H11 0.9800 . ?
N12 C76 1.461(14) . ?
N12 C77 1.508(13) . ?
N12 H12 0.9800 . ?
C1 C6 1.29(2) . ?
C1 C2 1.39(2) . ?
C1S C1T 1.489(13) . ?
C1T H1A 0.9600 . ?
C1T H1B 0.9600 . ?
C1T H1C 0.9600 . ?
C2 C3 1.37(3) . ?
C2 H2A 0.9300 . ?
C2S C2T 1.485(15) . ?
C2T H2B 0.9600 . ?
C2T H2C 0.9600 . ?
C2T H2D 0.9600 . ?
C3 C4 1.40(3) . ?
C3 H3A 0.9300 . ?
C3S C3T 1.505(16) . ?
C3T H3B 0.9600 . ?
C3T H3C 0.9600 . ?
C3T H3D 0.9600 . ?
C4 C5 1.36(3) . ?
C4 H4A 0.9300 . ?
C4S C4T 1.479(15) . ?
C4T H4B 0.9600 . ?
C4T H4C 0.9600 . ?
C4T H4D 0.9600 . ?
C5 C6 1.47(2) . ?
C5 H5A 0.9300 . ?
C5S C5T 1.501(18) . ?
C5T H5B 0.9600 . ?
C5T H5C 0.9600 . ?
C5T H5D 0.9600 . ?
C7 C8 1.496(18) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.37(2) . ?
C8 C13 1.39(2) . ?
C9 C10 1.404(18) . ?
C9 H9A 0.9300 . ?
C10 C11 1.389(19) . ?
C10 H10A 0.9300 . ?
C11 C12 1.40(2) . ?
C11 C14 1.516(18) . ?
C12 C13 1.385(17) . ?
C12 H12A 0.9300 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.38(2) . ?
C15 C20 1.411(17) . ?
C16 C17 1.406(19) . ?
C16 H16 0.9300 . ?
C17 C18 1.39(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.35(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.407(17) . ?
C19 H19 0.9300 . ?
C21 C22 1.513(15) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C27 1.377(18) . ?
C22 C23 1.461(19) . ?
C23 C24 1.426(15) . ?
C23 H23 0.9300 . ?
C24 C25 1.382(19) . ?
C24 H24 0.9300 . ?
C25 C26 1.37(2) . ?
C25 C28 1.517(15) . ?
C26 C27 1.397(15) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C34 1.295(18) . ?
C29 C30 1.38(2) . ?
C30 C31 1.35(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.404(19) . ?
C31 H31 0.9300 . ?
C32 C33 1.38(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.36(2) . ?
C33 H33 0.9300 . ?
C35 C36 1.501(18) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.37(2) . ?
C36 C41 1.39(2) . ?
C37 C38 1.41(2) . ?
C37 H37 0.9300 . ?
C38 C39 1.37(2) . ?
C38 H38 0.9300 . ?
C39 C40 1.39(2) . ?
C39 C42 1.50(2) . ?
C40 C41 1.38(2) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C48 1.372(16) . ?
C43 C44 1.406(18) . ?
C44 C45 1.37(2) . ?
C44 H44 0.9300 . ?
C45 C46 1.400(18) . ?
C45 H45 0.9300 . ?
C46 C47 1.356(19) . ?
C46 H46 0.9300 . ?
C47 C48 1.371(19) . ?
C47 H47 0.9300 . ?
C49 C50 1.511(15) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 C55 1.37(2) . ?
C50 C51 1.42(2) . ?
C51 C52 1.35(3) . ?
C51 H51 0.9300 . ?
C52 C53 1.40(3) . ?
C52 H52 0.9300 . ?
C53 C54 1.41(3) . ?
C53 C56 1.516(16) . ?
C54 C55 1.38(3) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C62 1.37(3) . ?
C57 C58 1.43(3) . ?
C58 C59 1.41(3) . ?
C58 H58 0.9300 . ?
C59 C60 1.36(3) . ?
C59 H59 0.9300 . ?
C60 C61 1.40(3) . ?
C60 H60 0.9300 . ?
C61 C62 1.42(3) . ?
C61 H61 0.9300 . ?
C63 C64 1.512(16) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 C65 1.37(3) . ?
C64 C69 1.40(3) . ?
C65 C66 1.38(3) . ?
C65 H65 0.9300 . ?
C66 C67 1.36(3) . ?
C66 H66 0.9300 . ?
C67 C68 1.39(3) . ?
C67 C70 1.515(15) . ?
C68 C69 1.38(2) . ?
C68 H68 0.9300 . ?
C69 H69 0.9300 . ?
C70 H70A 0.9700 . ?
C70 H70B 0.9700 . ?
C71 C76 1.335(19) . ?
C71 C72 1.41(2) . ?
C72 C73 1.44(2) . ?
C72 H72 0.9300 . ?
C73 C74 1.38(2) . ?
C73 H73 0.9300 . ?
C74 C75 1.31(2) . ?
C74 H74 0.9300 . ?
C75 C76 1.403(19) . ?
C75 H75 0.9300 . ?
C77 C78 1.512(13) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 C83 1.37(2) . ?
C78 C79 1.40(2) . ?
C79 C80 1.416(19) . ?
C79 H79 0.9300 . ?
C80 C81 1.374(18) . ?
C80 H80 0.9300 . ?
C81 C82 1.386(19) . ?
C81 C84 1.513(13) . ?
C82 C83 1.39(2) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
N2 Pd1 N1 84.5(4) . . ?
N2 Pd1 Cl2 90.5(3) . . ?
N1 Pd1 Cl2 175.0(3) . . ?
N2 Pd1 Cl1 176.8(3) . . ?
N1 Pd1 Cl1 92.8(3) . . ?
Cl2 Pd1 Cl1 92.18(13) . . ?
N3 Pd2 N4 84.6(4) . . ?
N3 Pd2 Cl4 174.4(3) . . ?
N4 Pd2 Cl4 91.4(3) . . ?
N3 Pd2 Cl3 90.9(3) . . ?
N4 Pd2 Cl3 171.6(3) . . ?
Cl4 Pd2 Cl3 93.64(11) . . ?
N6 Pd3 N5 83.4(5) . . ?
N6 Pd3 Cl5 175.3(4) . . ?
N5 Pd3 Cl5 92.4(3) . . ?
N6 Pd3 Cl6 90.9(4) . . ?
N5 Pd3 Cl6 173.1(3) . . ?
Cl5 Pd3 Cl6 93.37(15) . . ?
N8 Pd4 N7 84.5(4) . . ?
N8 Pd4 Cl7 174.9(3) . . ?
N7 Pd4 Cl7 90.7(3) . . ?
N8 Pd4 Cl8 91.3(3) . . ?
N7 Pd4 Cl8 175.4(3) . . ?
Cl7 Pd4 Cl8 93.53(13) . . ?
N10 Pd5 N9 86.2(8) . . ?
N10 Pd5 Cl10 90.0(6) . . ?
N9 Pd5 Cl10 176.2(7) . . ?
N10 Pd5 Cl9 176.7(6) . . ?
N9 Pd5 Cl9 90.4(7) . . ?
Cl10 Pd5 Cl9 93.3(4) . . ?
N12 Pd6 N11 84.4(5) . . ?
N12 Pd6 Cl12 91.1(4) . . ?
N11 Pd6 Cl12 175.5(4) . . ?
N12 Pd6 Cl11 173.0(3) . . ?
N11 Pd6 Cl11 93.2(4) . . ?
Cl12 Pd6 Cl11 91.2(2) . . ?
C1 N1 C42 115.7(12) . . ?
C1 N1 Pd1 107.9(9) . . ?
C42 N1 Pd1 115.4(9) . . ?
C1 N1 H1 105.7 . . ?
C42 N1 H1 105.7 . . ?
Pd1 N1 H1 105.7 . . ?
C6 N2 C7 114.6(11) . . ?
C6 N2 Pd1 105.3(8) . . ?
C7 N2 Pd1 110.4(8) . . ?
C6 N2 H2 108.8 . . ?
C7 N2 H2 108.8 . . ?
Pd1 N2 H2 108.8 . . ?
C15 N3 C14 113.7(10) . . ?
C15 N3 Pd2 107.9(8) . . ?
C14 N3 Pd2 118.7(9) . . ?
C15 N3 H3 105.1 . . ?
C14 N3 H3 105.1 . . ?
Pd2 N3 H3 105.1 . . ?
C20 N4 C21 117.4(10) . . ?
C20 N4 Pd2 107.1(7) . . ?
C21 N4 Pd2 110.6(7) . . ?
C20 N4 H4 107.1 . . ?
C21 N4 H4 107.1 . . ?
Pd2 N4 H4 107.1 . . ?
C29 N5 C28 113.6(11) . . ?
C29 N5 Pd3 110.0(8) . . ?
C28 N5 Pd3 117.5(9) . . ?
C29 N5 H5 104.8 . . ?
C28 N5 H5 104.8 . . ?
Pd3 N5 H5 104.8 . . ?
C35 N6 C34 113.7(11) . . ?
C35 N6 Pd3 107.6(8) . . ?
C34 N6 Pd3 109.2(7) . . ?
C35 N6 H6 108.7 . . ?
C34 N6 H6 108.7 . . ?
Pd3 N6 H6 108.7 . . ?
C43 N7 C84 117.3(11) . . ?
C43 N7 Pd4 106.3(7) . . ?
C84 N7 Pd4 110.1(7) . . ?
C43 N7 H7 107.6 . . ?
C84 N7 H7 107.6 . . ?
Pd4 N7 H7 107.6 . . ?
C48 N8 C49 113.4(11) . . ?
C48 N8 Pd4 108.0(7) . . ?
C49 N8 Pd4 115.3(9) . . ?
C48 N8 H8 106.5 . . ?
C49 N8 H8 106.5 . . ?
Pd4 N8 H8 106.5 . . ?
C57 N9 C56 115.8(16) . . ?
C57 N9 Pd5 106.1(14) . . ?
C56 N9 Pd5 108.8(13) . . ?
C57 N9 H9 108.7 . . ?
C56 N9 H9 108.7 . . ?
Pd5 N9 H9 108.7 . . ?
C62 N10 C63 107.8(19) . . ?
C62 N10 Pd5 108.8(16) . . ?
C63 N10 Pd5 120.9(16) . . ?
C62 N10 H10 106.1 . . ?
C63 N10 H10 106.1 . . ?
Pd5 N10 H10 106.1 . . ?
C71 N11 C70 112.0(11) . . ?
C71 N11 Pd6 104.3(9) . . ?
C70 N11 Pd6 119.3(10) . . ?
C71 N11 H11 106.9 . . ?
C70 N11 H11 106.9 . . ?
Pd6 N11 H11 106.9 . . ?
C76 N12 C77 110.6(12) . . ?
C76 N12 Pd6 109.0(9) . . ?
C77 N12 Pd6 119.1(9) . . ?
C76 N12 H12 105.7 . . ?
C77 N12 H12 105.7 . . ?
Pd6 N12 H12 105.7 . . ?
C6 C1 C2 120.2(16) . . ?
C6 C1 N1 118.2(14) . . ?
C2 C1 N1 121.5(15) . . ?
N1S C1S C1T 176.9(16) . . ?
C1S C1T H1A 109.5 . . ?
C1S C1T H1B 109.5 . . ?
H1A C1T H1B 109.5 . . ?
C1S C1T H1C 109.5 . . ?
H1A C1T H1C 109.5 . . ?
H1B C1T H1C 109.5 . . ?
C3 C2 C1 120.1(19) . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
N2S C2S C2T 173(3) . . ?
C2S C2T H2B 109.5 . . ?
C2S C2T H2C 109.5 . . ?
H2B C2T H2C 109.5 . . ?
C2S C2T H2D 109.5 . . ?
H2B C2T H2D 109.5 . . ?
H2C C2T H2D 109.5 . . ?
C2 C3 C4 119.4(19) . . ?
C2 C3 H3A 120.3 . . ?
C4 C3 H3A 120.3 . . ?
N3S C3S C3T 174(7) . . ?
C3S C3T H3B 109.5 . . ?
C3S C3T H3C 109.5 . . ?
H3B C3T H3C 109.5 . . ?
C3S C3T H3D 109.5 . . ?
H3B C3T H3D 109.5 . . ?
H3C C3T H3D 109.5 . . ?
C5 C4 C3 122.2(17) . . ?
C5 C4 H4A 118.9 . . ?
C3 C4 H4A 118.9 . . ?
N4S C4S C4T 177(3) . . ?
C4S C4T H4B 109.5 . . ?
C4S C4T H4C 109.5 . . ?
H4B C4T H4C 109.5 . . ?
C4S C4T H4D 109.5 . . ?
H4B C4T H4D 109.5 . . ?
H4C C4T H4D 109.5 . . ?
C4 C5 C6 115.2(17) . . ?
C4 C5 H5A 122.4 . . ?
C6 C5 H5A 122.4 . . ?
N5S C5S C5T 169(10) . . ?
C5S C5T H5B 109.5 . . ?
C5S C5T H5C 109.5 . . ?
H5B C5T H5C 109.5 . . ?
C5S C5T H5D 109.5 . . ?
H5B C5T H5D 109.5 . . ?
H5C C5T H5D 109.5 . . ?
C1 C6 C5 122.9(15) . . ?
C1 C6 N2 121.0(13) . . ?
C5 C6 N2 116.1(14) . . ?
C8 C7 N2 113.4(11) . . ?
C8 C7 H7A 108.9 . . ?
N2 C7 H7A 108.9 . . ?
C8 C7 H7B 108.9 . . ?
N2 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 C13 118.4(12) . . ?
C9 C8 C7 121.3(13) . . ?
C13 C8 C7 120.2(14) . . ?
C8 C9 C10 120.4(13) . . ?
C8 C9 H9A 119.8 . . ?
C10 C9 H9A 119.8 . . ?
C11 C10 C9 121.0(14) . . ?
C11 C10 H10A 119.5 . . ?
C9 C10 H10A 119.5 . . ?
C10 C11 C12 118.4(12) . . ?
C10 C11 C14 121.7(14) . . ?
C12 C11 C14 119.9(12) . . ?
C13 C12 C11 119.7(12) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C12 C13 C8 122.2(13) . . ?
C12 C13 H13 118.9 . . ?
C8 C13 H13 118.9 . . ?
N3 C14 C11 110.2(9) . . ?
N3 C14 H14A 109.6 . . ?
C11 C14 H14A 109.6 . . ?
N3 C14 H14B 109.6 . . ?
C11 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C16 C15 C20 119.5(12) . . ?
C16 C15 N3 123.4(11) . . ?
C20 C15 N3 116.9(12) . . ?
C15 C16 C17 120.5(13) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 118.6(14) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
C19 C18 C17 122.0(13) . . ?
C19 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C18 C19 C20 120.1(13) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C15 119.2(13) . . ?
C19 C20 N4 122.6(11) . . ?
C15 C20 N4 118.2(11) . . ?
N4 C21 C22 111.6(9) . . ?
N4 C21 H21A 109.3 . . ?
C22 C21 H21A 109.3 . . ?
N4 C21 H21B 109.3 . . ?
C22 C21 H21B 109.3 . . ?
H21A C21 H21B 108.0 . . ?
C27 C22 C23 120.8(10) . . ?
C27 C22 C21 118.9(12) . . ?
C23 C22 C21 119.6(11) . . ?
C24 C23 C22 114.1(11) . . ?
C24 C23 H23 123.0 . . ?
C22 C23 H23 123.0 . . ?
C25 C24 C23 123.7(13) . . ?
C25 C24 H24 118.2 . . ?
C23 C24 H24 118.2 . . ?
C26 C25 C24 119.8(11) . . ?
C26 C25 C28 119.6(12) . . ?
C24 C25 C28 120.5(13) . . ?
C25 C26 C27 120.1(12) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 121.1(13) . . ?
C22 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
N5 C28 C25 111.3(10) . . ?
N5 C28 H28A 109.4 . . ?
C25 C28 H28A 109.4 . . ?
N5 C28 H28B 109.4 . . ?
C25 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C34 C29 C30 118.7(14) . . ?
C34 C29 N5 120.0(14) . . ?
C30 C29 N5 121.1(12) . . ?
C31 C30 C29 118.4(13) . . ?
C31 C30 H30 120.8 . . ?
C29 C30 H30 120.8 . . ?
C30 C31 C32 121.0(15) . . ?
C30 C31 H31 119.5 . . ?
C32 C31 H31 119.5 . . ?
C33 C32 C31 120.0(14) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C34 C33 C32 114.4(13) . . ?
C34 C33 H33 122.8 . . ?
C32 C33 H33 122.8 . . ?
C29 C34 C33 127.3(15) . . ?
C29 C34 N6 114.9(13) . . ?
C33 C34 N6 117.7(12) . . ?
C36 C35 N6 114.0(11) . . ?
C36 C35 H35A 108.8 . . ?
N6 C35 H35A 108.8 . . ?
C36 C35 H35B 108.8 . . ?
N6 C35 H35B 108.8 . . ?
H35A C35 H35B 107.6 . . ?
C37 C36 C41 117.5(13) . . ?
C37 C36 C35 124.6(13) . . ?
C41 C36 C35 117.8(15) . . ?
C36 C37 C38 120.8(14) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C39 C38 C37 120.7(16) . . ?
C39 C38 H38 119.6 . . ?
C37 C38 H38 119.6 . . ?
C38 C39 C40 119.2(14) . . ?
C38 C39 C42 121.6(15) . . ?
C40 C39 C42 119.0(12) . . ?
C41 C40 C39 119.2(14) . . ?
C41 C40 H40 120.4 . . ?
C39 C40 H40 120.4 . . ?
C40 C41 C36 122.7(15) . . ?
C40 C41 H41 118.7 . . ?
C36 C41 H41 118.7 . . ?
N1 C42 C39 111.8(11) . . ?
N1 C42 H42A 109.2 . . ?
C39 C42 H42A 109.2 . . ?
N1 C42 H42B 109.2 . . ?
C39 C42 H42B 109.2 . . ?
H42A C42 H42B 107.9 . . ?
C48 C43 C44 120.8(11) . . ?
C48 C43 N7 119.3(11) . . ?
C44 C43 N7 119.8(11) . . ?
C45 C44 C43 118.7(12) . . ?
C45 C44 H44 120.7 . . ?
C43 C44 H44 120.7 . . ?
C44 C45 C46 119.3(13) . . ?
C44 C45 H45 120.4 . . ?
C46 C45 H45 120.4 . . ?
C47 C46 C45 121.5(14) . . ?
C47 C46 H46 119.3 . . ?
C45 C46 H46 119.3 . . ?
C46 C47 C48 119.7(12) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C47 C48 C43 120.0(11) . . ?
C47 C48 N8 122.1(11) . . ?
C43 C48 N8 117.8(11) . . ?
N8 C49 C50 111.4(11) . . ?
N8 C49 H49A 109.4 . . ?
C50 C49 H49A 109.4 . . ?
N8 C49 H49B 109.4 . . ?
C50 C49 H49B 109.4 . . ?
H49A C49 H49B 108.0 . . ?
C55 C50 C51 118.5(17) . . ?
C55 C50 C49 123.2(16) . . ?
C51 C50 C49 118.2(16) . . ?
C52 C51 C50 122.4(18) . . ?
C52 C51 H51 118.8 . . ?
C50 C51 H51 118.8 . . ?
C51 C52 C53 118.6(19) . . ?
C51 C52 H52 120.7 . . ?
C53 C52 H52 120.7 . . ?
C52 C53 C54 120.1(18) . . ?
C52 C53 C56 120(2) . . ?
C54 C53 C56 119.9(19) . . ?
C55 C54 C53 119.9(19) . . ?
C55 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C50 C55 C54 120.5(19) . . ?
C50 C55 H55 119.8 . . ?
C54 C55 H55 119.8 . . ?
N9 C56 C53 111.5(16) . . ?
N9 C56 H56A 109.3 . . ?
C53 C56 H56A 109.3 . . ?
N9 C56 H56B 109.3 . . ?
C53 C56 H56B 109.3 . . ?
H56A C56 H56B 108.0 . . ?
C62 C57 C58 124.5(18) . . ?
C62 C57 N9 118(2) . . ?
C58 C57 N9 118(2) . . ?
C59 C58 C57 116(2) . . ?
C59 C58 H58 122.0 . . ?
C57 C58 H58 122.0 . . ?
C60 C59 C58 120(2) . . ?
C60 C59 H59 119.8 . . ?
C58 C59 H59 119.8 . . ?
C59 C60 C61 123(2) . . ?
C59 C60 H60 118.5 . . ?
C61 C60 H60 118.5 . . ?
C60 C61 C62 119(2) . . ?
C60 C61 H61 120.7 . . ?
C62 C61 H61 120.7 . . ?
C57 C62 C61 117.6(18) . . ?
C57 C62 N10 116(2) . . ?
C61 C62 N10 125(2) . . ?
N10 C63 C64 113(2) . . ?
N10 C63 H63A 108.9 . . ?
C64 C63 H63A 108.9 . . ?
N10 C63 H63B 108.9 . . ?
C64 C63 H63B 108.9 . . ?
H63A C63 H63B 107.7 . . ?
C65 C64 C69 117.3(18) . . ?
C65 C64 C63 123(2) . . ?
C69 C64 C63 120(2) . . ?
C64 C65 C66 121(2) . . ?
C64 C65 H65 119.3 . . ?
C66 C65 H65 119.3 . . ?
C67 C66 C65 121(2) . . ?
C67 C66 H66 119.3 . . ?
C65 C66 H66 119.3 . . ?
C66 C67 C68 118.0(18) . . ?
C66 C67 C70 118.9(18) . . ?
C68 C67 C70 123.1(17) . . ?
C69 C68 C67 121(2) . . ?
C69 C68 H68 119.3 . . ?
C67 C68 H68 119.3 . . ?
C68 C69 C64 120(2) . . ?
C68 C69 H69 119.8 . . ?
C64 C69 H69 119.8 . . ?
N11 C70 C67 112.7(15) . . ?
N11 C70 H70A 109.0 . . ?
C67 C70 H70A 109.0 . . ?
N11 C70 H70B 109.0 . . ?
C67 C70 H70B 109.0 . . ?
H70A C70 H70B 107.8 . . ?
C76 C71 C72 118.8(12) . . ?
C76 C71 N11 122.7(13) . . ?
C72 C71 N11 118.4(13) . . ?
C71 C72 C73 119.0(14) . . ?
C71 C72 H72 120.5 . . ?
C73 C72 H72 120.5 . . ?
C74 C73 C72 117.1(15) . . ?
C74 C73 H73 121.5 . . ?
C72 C73 H73 121.5 . . ?
C75 C74 C73 124.1(15) . . ?
C75 C74 H74 117.9 . . ?
C73 C74 H74 117.9 . . ?
C74 C75 C76 118.4(14) . . ?
C74 C75 H75 120.8 . . ?
C76 C75 H75 120.8 . . ?
C71 C76 C75 122.6(13) . . ?
C71 C76 N12 113.9(13) . . ?
C75 C76 N12 123.5(13) . . ?
N12 C77 C78 113.0(11) . . ?
N12 C77 H77A 109.0 . . ?
C78 C77 H77A 109.0 . . ?
N12 C77 H77B 109.0 . . ?
C78 C77 H77B 109.0 . . ?
H77A C77 H77B 107.8 . . ?
C83 C78 C79 118.7(11) . . ?
C83 C78 C77 122.2(13) . . ?
C79 C78 C77 119.1(12) . . ?
C78 C79 C80 120.0(13) . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 120.0 . . ?
C81 C80 C79 119.8(14) . . ?
C81 C80 H80 120.1 . . ?
C79 C80 H80 120.1 . . ?
C80 C81 C82 119.8(12) . . ?
C80 C81 C84 118.1(12) . . ?
C82 C81 C84 122.1(12) . . ?
C81 C82 C83 119.9(13) . . ?
C81 C82 H82 120.0 . . ?
C83 C82 H82 120.0 . . ?
C78 C83 C82 121.7(14) . . ?
C78 C83 H83 119.2 . . ?
C82 C83 H83 119.2 . . ?
N7 C84 C81 112.9(11) . . ?
N7 C84 H84A 109.0 . . ?
C81 C84 H84A 109.0 . . ?
N7 C84 H84B 109.0 . . ?
C81 C84 H84B 109.0 . . ?
H84A C84 H84B 107.8 . . ?
 
loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
C42 N1 C1 C6 -125.1(14) . . . . ?
Pd1 N1 C1 C6 5.8(15) . . . . ?
C42 N1 C1 C2 57.6(18) . . . . ?
Pd1 N1 C1 C2 -171.5(13) . . . . ?
C6 C1 C2 C3 -3(3) . . . . ?
N1 C1 C2 C3 174.7(16) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C2 C3 C4 C5 2(3) . . . . ?
C3 C4 C5 C6 -1(3) . . . . ?
C2 C1 C6 C5 3(2) . . . . ?
N1 C1 C6 C5 -174.0(12) . . . . ?
C2 C1 C6 N2 -174.2(13) . . . . ?
N1 C1 C6 N2 8.4(19) . . . . ?
C4 C5 C6 C1 -2(2) . . . . ?
C4 C5 C6 N2 176.0(15) . . . . ?
C7 N2 C6 C1 103.8(15) . . . . ?
Pd1 N2 C6 C1 -17.8(15) . . . . ?
C7 N2 C6 C5 -73.9(15) . . . . ?
Pd1 N2 C6 C5 164.5(10) . . . . ?
C6 N2 C7 C8 64.2(16) . . . . ?
Pd1 N2 C7 C8 -177.1(11) . . . . ?
N2 C7 C8 C9 -102.6(16) . . . . ?
N2 C7 C8 C13 74.2(17) . . . . ?
C13 C8 C9 C10 1(2) . . . . ?
C7 C8 C9 C10 178.1(12) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C9 C10 C11 C12 -1.9(19) . . . . ?
C9 C10 C11 C14 178.7(12) . . . . ?
C10 C11 C12 C13 2.3(19) . . . . ?
C14 C11 C12 C13 -178.3(12) . . . . ?
C11 C12 C13 C8 -1(2) . . . . ?
C9 C8 C13 C12 -1(2) . . . . ?
C7 C8 C13 C12 -177.7(13) . . . . ?
C15 N3 C14 C11 76.0(15) . . . . ?
Pd2 N3 C14 C11 -52.5(13) . . . . ?
C10 C11 C14 N3 -84.6(15) . . . . ?
C12 C11 C14 N3 96.0(14) . . . . ?
C14 N3 C15 C16 59.7(15) . . . . ?
Pd2 N3 C15 C16 -166.5(10) . . . . ?
C14 N3 C15 C20 -125.9(12) . . . . ?
Pd2 N3 C15 C20 8.0(12) . . . . ?
C20 C15 C16 C17 -2.4(18) . . . . ?
N3 C15 C16 C17 171.9(11) . . . . ?
C15 C16 C17 C18 0.5(19) . . . . ?
C16 C17 C18 C19 0(2) . . . . ?
C17 C18 C19 C20 2.0(19) . . . . ?
C18 C19 C20 C15 -3.8(18) . . . . ?
C18 C19 C20 N4 175.4(11) . . . . ?
C16 C15 C20 C19 4.0(17) . . . . ?
N3 C15 C20 C19 -170.6(10) . . . . ?
C16 C15 C20 N4 -175.2(11) . . . . ?
N3 C15 C20 N4 10.2(15) . . . . ?
C21 N4 C20 C19 -76.5(14) . . . . ?
Pd2 N4 C20 C19 158.4(9) . . . . ?
C21 N4 C20 C15 102.7(12) . . . . ?
Pd2 N4 C20 C15 -22.5(12) . . . . ?
C20 N4 C21 C22 66.2(14) . . . . ?
Pd2 N4 C21 C22 -170.4(9) . . . . ?
N4 C21 C22 C27 83.3(15) . . . . ?
N4 C21 C22 C23 -87.7(13) . . . . ?
C27 C22 C23 C24 5.4(16) . . . . ?
C21 C22 C23 C24 176.1(10) . . . . ?
C22 C23 C24 C25 -2.7(17) . . . . ?
C23 C24 C25 C26 1.2(19) . . . . ?
C23 C24 C25 C28 178.3(11) . . . . ?
C24 C25 C26 C27 -2.1(18) . . . . ?
C28 C25 C26 C27 -179.3(11) . . . . ?
C23 C22 C27 C26 -6.7(18) . . . . ?
C21 C22 C27 C26 -177.5(11) . . . . ?
C25 C26 C27 C22 5.0(19) . . . . ?
C29 N5 C28 C25 77.1(15) . . . . ?
Pd3 N5 C28 C25 -53.3(14) . . . . ?
C26 C25 C28 N5 101.2(14) . . . . ?
C24 C25 C28 N5 -75.9(16) . . . . ?
C28 N5 C29 C34 -127.2(13) . . . . ?
Pd3 N5 C29 C34 6.8(14) . . . . ?
C28 N5 C29 C30 57.5(15) . . . . ?
Pd3 N5 C29 C30 -168.5(10) . . . . ?
C34 C29 C30 C31 0.6(19) . . . . ?
N5 C29 C30 C31 176.0(11) . . . . ?
C29 C30 C31 C32 -2(2) . . . . ?
C30 C31 C32 C33 0(2) . . . . ?
C31 C32 C33 C34 2.9(19) . . . . ?
C30 C29 C34 C33 3(2) . . . . ?
N5 C29 C34 C33 -172.3(12) . . . . ?
C30 C29 C34 N6 -179.8(11) . . . . ?
N5 C29 C34 N6 4.8(17) . . . . ?
C32 C33 C34 C29 -5(2) . . . . ?
C32 C33 C34 N6 178.1(11) . . . . ?
C35 N6 C34 C29 106.2(13) . . . . ?
Pd3 N6 C34 C29 -14.1(13) . . . . ?
C35 N6 C34 C33 -76.4(14) . . . . ?
Pd3 N6 C34 C33 163.4(10) . . . . ?
C34 N6 C35 C36 75.3(15) . . . . ?
Pd3 N6 C35 C36 -163.6(11) . . . . ?
N6 C35 C36 C37 -99.0(17) . . . . ?
N6 C35 C36 C41 85.1(17) . . . . ?
C41 C36 C37 C38 -1(2) . . . . ?
C35 C36 C37 C38 -177.2(13) . . . . ?
C36 C37 C38 C39 0(2) . . . . ?
C37 C38 C39 C40 1(2) . . . . ?
C37 C38 C39 C42 175.9(13) . . . . ?
C38 C39 C40 C41 -1(2) . . . . ?
C42 C39 C40 C41 -175.9(13) . . . . ?
C39 C40 C41 C36 0(2) . . . . ?
C37 C36 C41 C40 2(2) . . . . ?
C35 C36 C41 C40 177.7(13) . . . . ?
C1 N1 C42 C39 77.8(16) . . . . ?
Pd1 N1 C42 C39 -49.4(15) . . . . ?
C38 C39 C42 N1 -85.1(17) . . . . ?
C40 C39 C42 N1 89.7(16) . . . . ?
C84 N7 C43 C48 -105.4(15) . . . . ?
Pd4 N7 C43 C48 18.2(16) . . . . ?
C84 N7 C43 C44 71.4(17) . . . . ?
Pd4 N7 C43 C44 -165.0(12) . . . . ?
C48 C43 C44 C45 -2(2) . . . . ?
N7 C43 C44 C45 -178.5(14) . . . . ?
C43 C44 C45 C46 1(2) . . . . ?
C44 C45 C46 C47 1(2) . . . . ?
C45 C46 C47 C48 -4(2) . . . . ?
C46 C47 C48 C43 3(2) . . . . ?
C46 C47 C48 N8 -174.1(14) . . . . ?
C44 C43 C48 C47 -1(2) . . . . ?
N7 C43 C48 C47 176.2(14) . . . . ?
C44 C43 C48 N8 176.9(14) . . . . ?
N7 C43 C48 N8 -6(2) . . . . ?
C49 N8 C48 C47 -62.9(19) . . . . ?
Pd4 N8 C48 C47 168.0(13) . . . . ?
C49 N8 C48 C43 119.6(15) . . . . ?
Pd4 N8 C48 C43 -9.4(17) . . . . ?
C48 N8 C49 C50 -77.3(16) . . . . ?
Pd4 N8 C49 C50 47.9(15) . . . . ?
N8 C49 C50 C55 93.2(16) . . . . ?
N8 C49 C50 C51 -85.9(16) . . . . ?
C55 C50 C51 C52 0(2) . . . . ?
C49 C50 C51 C52 178.7(13) . . . . ?
C50 C51 C52 C53 2(2) . . . . ?
C51 C52 C53 C54 -2(2) . . . . ?
C51 C52 C53 C56 176.3(15) . . . . ?
C52 C53 C54 C55 0(2) . . . . ?
C56 C53 C54 C55 -178.0(14) . . . . ?
C51 C50 C55 C54 -1(2) . . . . ?
C49 C50 C55 C54 179.5(13) . . . . ?
C53 C54 C55 C50 1(2) . . . . ?
C57 N9 C56 C53 -63(3) . . . . ?
Pd5 N9 C56 C53 177.8(16) . . . . ?
C52 C53 C56 N9 -85(2) . . . . ?
C54 C53 C56 N9 94(2) . . . . ?
C56 N9 C57 C62 -97(2) . . . . ?
Pd5 N9 C57 C62 23.7(18) . . . . ?
C56 N9 C57 C58 81(2) . . . . ?
Pd5 N9 C57 C58 -157.8(12) . . . . ?
C62 C57 C58 C59 -0.9(19) . . . . ?
N9 C57 C58 C59 -179.3(16) . . . . ?
C57 C58 C59 C60 0.8(18) . . . . ?
C58 C59 C60 C61 -1(2) . . . . ?
C59 C60 C61 C62 1(2) . . . . ?
C58 C57 C62 C61 1.0(19) . . . . ?
N9 C57 C62 C61 179.4(16) . . . . ?
C58 C57 C62 N10 168.4(17) . . . . ?
N9 C57 C62 N10 -13(2) . . . . ?
C60 C61 C62 C57 -1.1(18) . . . . ?
C60 C61 C62 N10 -167(2) . . . . ?
C63 N10 C62 C57 128.1(17) . . . . ?
Pd5 N10 C62 C57 -4.7(18) . . . . ?
C63 N10 C62 C61 -66(2) . . . . ?
Pd5 N10 C62 C61 161.6(14) . . . . ?
C62 N10 C63 C64 -89(2) . . . . ?
Pd5 N10 C63 C64 37(3) . . . . ?
N10 C63 C64 C65 -83(3) . . . . ?
N10 C63 C64 C69 95(3) . . . . ?
C69 C64 C65 C66 -5(5) . . . . ?
C63 C64 C65 C66 173(3) . . . . ?
C64 C65 C66 C67 3(5) . . . . ?
C65 C66 C67 C68 0(4) . . . . ?
C65 C66 C67 C70 -180(2) . . . . ?
C66 C67 C68 C69 -1(4) . . . . ?
C70 C67 C68 C69 179(2) . . . . ?
C67 C68 C69 C64 -1(4) . . . . ?
C65 C64 C69 C68 4(4) . . . . ?
C63 C64 C69 C68 -174(2) . . . . ?
C71 N11 C70 C67 174.6(14) . . . . ?
Pd6 N11 C70 C67 -63.2(17) . . . . ?
C66 C67 C70 N11 -81(2) . . . . ?
C68 C67 C70 N11 98(2) . . . . ?
C70 N11 C71 C76 113.0(14) . . . . ?
Pd6 N11 C71 C76 -17.3(13) . . . . ?
C70 N11 C71 C72 -64.6(15) . . . . ?
Pd6 N11 C71 C72 165.0(8) . . . . ?
C76 C71 C72 C73 2.5(15) . . . . ?
N11 C71 C72 C73 -179.7(11) . . . . ?
C71 C72 C73 C74 -1.5(14) . . . . ?
C72 C73 C74 C75 0.4(16) . . . . ?
C73 C74 C75 C76 -0.3(16) . . . . ?
C72 C71 C76 C75 -2.5(15) . . . . ?
N11 C71 C76 C75 179.8(11) . . . . ?
C72 C71 C76 N12 178.9(10) . . . . ?
N11 C71 C76 N12 1.2(15) . . . . ?
C74 C75 C76 C71 1.4(16) . . . . ?
C74 C75 C76 N12 179.9(11) . . . . ?
C77 N12 C76 C71 -116.6(12) . . . . ?
Pd6 N12 C76 C71 16.2(12) . . . . ?
C77 N12 C76 C75 64.8(15) . . . . ?
Pd6 N12 C76 C75 -162.4(9) . . . . ?
C76 N12 C77 C78 60.9(16) . . . . ?
Pd6 N12 C77 C78 -66.5(16) . . . . ?
N12 C77 C78 C83 90.3(18) . . . . ?
N12 C77 C78 C79 -87.9(17) . . . . ?
C83 C78 C79 C80 1(2) . . . . ?
C77 C78 C79 C80 178.8(12) . . . . ?
C78 C79 C80 C81 2(2) . . . . ?
C79 C80 C81 C82 -2(2) . . . . ?
C79 C80 C81 C84 179.7(12) . . . . ?
C80 C81 C82 C83 -1(2) . . . . ?
C84 C81 C82 C83 177.5(13) . . . . ?
C79 C78 C83 C82 -3(2) . . . . ?
C77 C78 C83 C82 178.4(14) . . . . ?
C81 C82 C83 C78 3(2) . . . . ?
C43 N7 C84 C81 -61.7(14) . . . . ?
Pd4 N7 C84 C81 176.5(8) . . . . ?
C80 C81 C84 N7 -79.2(15) . . . . ?
C82 C81 C84 N7 102.8(15) . . . . ?
 
_refine_diff_density_max    3.783
_refine_diff_density_min   -3.332
_refine_diff_density_rms    0.246




