#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/47/7004781.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7004781
loop_
_publ_author_name
'Li, Jingqiu'
'Hor, T. S. Andy'
_publ_section_title
;
 Self-selected formation of a heteropolymetallic sandwich
 [Pd3Pt4(μ3-S)4(μ-dppy)4(dppy)4][PF6]3 from dinuclear addition across
 the [Pt2] and [Pd2] cores (dppy = 2-(diphenylphosphino)pyridine)
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              6619
_journal_page_last               6623
_journal_paper_doi               10.1039/b812644e
_journal_year                    2008
_chemical_formula_sum            'C142.35 H125.7 Cl6.7 F18 N8 P11 Pd3 Pt4 S4'
_chemical_formula_weight         4100.02
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.622(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9411(10)
_cell_length_b                   36.318(2)
_cell_length_c                   20.8300(11)
_cell_measurement_reflns_used    5459
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      19.31
_cell_measurement_theta_min      2.23
_cell_volume                     15055.4(14)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0987
_diffrn_reflns_av_sigmaI/netI    0.1067
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            87028
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    4.418
_exptl_absorpt_correction_T_max  0.6663
_exptl_absorpt_correction_T_min  0.2845
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.809
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Block
_exptl_crystal_F_000             7970
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.618
_refine_diff_density_min         -1.622
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1819
_refine_ls_number_reflns         26527
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1101
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0597P)²+119.5901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.1635
_reflns_number_gt                18150
_reflns_number_total             26527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812644e.txt
_cod_data_source_block           7374
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        15055.2(14)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum
'C142.35 H125.70 Cl6.70 F18 N8 P11 Pd3 Pt4 S4'
_cod_database_code               7004781
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.18192(2) 0.210589(14) 0.60133(2) 0.02620(13) Uani 1 1 d . . .
Pt2 Pt 0.18587(2) 0.185325(14) 0.75120(2) 0.02623(12) Uani 1 1 d . . .
Pt3 Pt 0.29781(2) 0.376867(14) 0.66501(2) 0.02725(13) Uani 1 1 d . . .
Pt4 Pt 0.14488(2) 0.359126(14) 0.69298(2) 0.02941(13) Uani 1 1 d . . .
Pd1 Pd 0.11095(5) 0.28412(3) 0.70041(5) 0.0328(2) Uani 1 1 d . . .
Pd2 Pd 0.25457(5) 0.27900(3) 0.71292(5) 0.0308(2) Uani 1 1 d . . .
Pd3 Pd 0.19404(5) 0.28723(3) 0.58427(5) 0.0328(2) Uani 1 1 d . . .
S1 S 0.26323(14) 0.21505(9) 0.68810(15) 0.0299(7) Uani 1 1 d . . .
S2 S 0.10619(14) 0.21650(9) 0.68232(15) 0.0280(7) Uani 1 1 d . . .
S3 S 0.24939(15) 0.34221(9) 0.74425(15) 0.0298(7) Uani 1 1 d . . .
S4 S 0.20423(15) 0.35512(9) 0.59967(16) 0.0323(8) Uani 1 1 d . . .
P1 P 0.09745(16) 0.20611(10) 0.52308(17) 0.0328(8) Uani 1 1 d . . .
P2 P 0.26883(15) 0.20139(10) 0.53499(16) 0.0302(8) Uani 1 1 d . . .
P3 P 0.09586(16) 0.15682(10) 0.79197(17) 0.0319(8) Uani 1 1 d . . .
P4 P 0.27397(16) 0.16074(10) 0.81201(17) 0.0339(8) Uani 1 1 d . . .
P5 P 0.32666(16) 0.41206(10) 0.57960(17) 0.0316(8) Uani 1 1 d . . .
P6 P 0.38131(15) 0.39660(10) 0.73856(16) 0.0292(8) Uani 1 1 d . . .
P7 P 0.04547(16) 0.37306(10) 0.63801(18) 0.0344(8) Uani 1 1 d . . .
P8 P 0.10960(16) 0.36638(10) 0.79493(18) 0.0339(8) Uani 1 1 d . . .
C1A C 0.1106(5) 0.2405(4) 0.4601(7) 0.033(3) Uani 1 1 d . . .
N2A N 0.1326(5) 0.2731(3) 0.4826(6) 0.040(3) Uani 1 1 d . . .
C3A C 0.1399(6) 0.3010(5) 0.4409(7) 0.048(4) Uani 1 1 d . . .
H3A H 0.1544 0.3242 0.4563 0.057 Uiso 1 1 calc R . .
C4A C 0.1262(7) 0.2957(5) 0.3755(7) 0.051(4) Uani 1 1 d . . .
H4A H 0.1308 0.3154 0.3469 0.061 Uiso 1 1 calc R . .
C5A C 0.1063(6) 0.2628(5) 0.3530(7) 0.047(4) Uani 1 1 d . . .
H5A H 0.0987 0.2593 0.3085 0.057 Uiso 1 1 calc R . .
C6A C 0.0968(6) 0.2339(4) 0.3943(6) 0.038(3) Uani 1 1 d . . .
H6A H 0.0818 0.2108 0.3790 0.045 Uiso 1 1 calc R . .
C1B C 0.0107(6) 0.2148(4) 0.5414(7) 0.036(3) Uani 1 1 d . . .
C2B C -0.0268(7) 0.2438(4) 0.5163(7) 0.045(4) Uani 1 1 d . . .
H2B H -0.0058 0.2615 0.4914 0.054 Uiso 1 1 calc R . .
C3B C -0.0946(7) 0.2478(5) 0.5264(7) 0.051(4) Uani 1 1 d . . .
H3B H -0.1188 0.2682 0.5093 0.061 Uiso 1 1 calc R . .
C4B C -0.1251(8) 0.2223(5) 0.5610(8) 0.059(5) Uani 1 1 d . . .
H4B H -0.1714 0.2244 0.5666 0.071 Uiso 1 1 calc R . .
C5B C -0.0877(7) 0.1919(5) 0.5896(7) 0.055(5) Uani 1 1 d . . .
H5B H -0.1086 0.1742 0.6146 0.066 Uiso 1 1 calc R . .
C6B C -0.0210(6) 0.1894(4) 0.5791(7) 0.046(4) Uani 1 1 d . . .
H6B H 0.0042 0.1699 0.5980 0.055 Uiso 1 1 calc R . .
C1C C 0.0892(7) 0.1611(4) 0.4873(6) 0.040(4) Uani 1 1 d . . .
C2C C 0.1367(7) 0.1339(4) 0.5063(8) 0.048(4) Uani 1 1 d . . .
H2C H 0.1719 0.1397 0.5368 0.058 Uiso 1 1 calc R . .
C3C C 0.1324(9) 0.0993(5) 0.4813(9) 0.066(5) Uani 1 1 d . . .
H3C H 0.1667 0.0823 0.4922 0.079 Uiso 1 1 calc R . .
C4C C 0.0798(10) 0.0889(6) 0.4409(10) 0.091(7) Uani 1 1 d . . .
H4C H 0.0754 0.0644 0.4265 0.109 Uiso 1 1 calc R . .
C5C C 0.0318(10) 0.1158(6) 0.4213(9) 0.078(6) Uani 1 1 d . . .
H5C H -0.0036 0.1097 0.3912 0.093 Uiso 1 1 calc R . .
C6C C 0.0363(8) 0.1508(5) 0.4459(8) 0.058(5) Uani 1 1 d . . .
H6C H 0.0026 0.1681 0.4342 0.069 Uiso 1 1 calc R . .
C1D C 0.3356(6) 0.2346(4) 0.5552(6) 0.032(3) Uani 1 1 d . . .
N2D N 0.3142(5) 0.2690(3) 0.5623(5) 0.033(3) Uani 1 1 d . . .
C3D C 0.3597(7) 0.2962(4) 0.5701(7) 0.047(4) Uani 1 1 d . . .
H3D H 0.3447 0.3204 0.5758 0.057 Uiso 1 1 calc R . .
C4D C 0.4289(7) 0.2895(5) 0.5700(7) 0.052(4) Uani 1 1 d . . .
H4D H 0.4601 0.3090 0.5717 0.062 Uiso 1 1 calc R . .
C5D C 0.4493(6) 0.2534(5) 0.5675(7) 0.049(4) Uani 1 1 d . . .
H5D H 0.4954 0.2478 0.5715 0.058 Uiso 1 1 calc R . .
C6D C 0.4028(6) 0.2251(4) 0.5590(6) 0.041(4) Uani 1 1 d . . .
H6D H 0.4165 0.2004 0.5560 0.049 Uiso 1 1 calc R . .
C1E C 0.2578(6) 0.2074(4) 0.4470(6) 0.031(3) Uani 1 1 d . . .
C2E C 0.2720(6) 0.2407(4) 0.4187(6) 0.042(4) Uani 1 1 d . . .
H2E H 0.2860 0.2610 0.4442 0.050 Uiso 1 1 calc R . .
C3E C 0.2654(6) 0.2440(5) 0.3514(7) 0.049(4) Uani 1 1 d . . .
H3E H 0.2742 0.2667 0.3319 0.059 Uiso 1 1 calc R . .
C4E C 0.2462(7) 0.2144(5) 0.3138(8) 0.058(5) Uani 1 1 d . . .
H4E H 0.2433 0.2168 0.2688 0.069 Uiso 1 1 calc R . .
C5E C 0.2308(7) 0.1808(5) 0.3417(7) 0.050(4) Uani 1 1 d . . .
H5E H 0.2168 0.1607 0.3158 0.060 Uiso 1 1 calc R . .
C6E C 0.2365(6) 0.1774(4) 0.4082(7) 0.042(4) Uani 1 1 d . . .
H6E H 0.2261 0.1548 0.4274 0.050 Uiso 1 1 calc R . .
C1F C 0.3118(6) 0.1572(4) 0.5419(6) 0.035(3) Uani 1 1 d . . .
C2F C 0.3512(7) 0.1440(4) 0.4935(7) 0.046(4) Uani 1 1 d . . .
H2F H 0.3552 0.1577 0.4558 0.055 Uiso 1 1 calc R . .
C3F C 0.3833(9) 0.1115(5) 0.5010(9) 0.066(5) Uani 1 1 d . . .
H3F H 0.4103 0.1032 0.4685 0.079 Uiso 1 1 calc R . .
C4F C 0.3778(12) 0.0903(6) 0.5547(12) 0.119(10) Uani 1 1 d . . .
H4F H 0.4004 0.0677 0.5596 0.143 Uiso 1 1 calc R . .
C5F C 0.3386(14) 0.1032(7) 0.6005(13) 0.152(14) Uani 1 1 d . . .
H5F H 0.3348 0.0891 0.6380 0.182 Uiso 1 1 calc R . .
C6F C 0.3040(9) 0.1360(5) 0.5945(8) 0.070(6) Uani 1 1 d . . .
H6F H 0.2755 0.1435 0.6263 0.084 Uiso 1 1 calc R . .
C1G C 0.0364(7) 0.1889(4) 0.8243(7) 0.036(3) Uani 1 1 d . . .
C2G C 0.0541(7) 0.2043(4) 0.8836(7) 0.044(4) Uani 1 1 d . . .
H2G H 0.0951 0.1977 0.9053 0.053 Uiso 1 1 calc R . .
C3G C 0.0123(9) 0.2290(5) 0.9113(9) 0.066(5) Uani 1 1 d . . .
H3G H 0.0243 0.2380 0.9528 0.080 Uiso 1 1 calc R . .
C4G C -0.0465(9) 0.2409(5) 0.8799(9) 0.060(5) Uani 1 1 d . . .
H4G H -0.0748 0.2580 0.8987 0.072 Uiso 1 1 calc R . .
C5G C -0.0619(8) 0.2265(5) 0.8188(9) 0.061(5) Uani 1 1 d . . .
H5G H -0.1013 0.2343 0.7958 0.073 Uiso 1 1 calc R . .
C6G C -0.0207(6) 0.2004(4) 0.7902(8) 0.045(4) Uani 1 1 d . . .
H6G H -0.0321 0.1912 0.7488 0.054 Uiso 1 1 calc R . .
C1H C 0.1055(6) 0.1224(4) 0.8568(6) 0.038(3) Uani 1 1 d . . .
N2H N 0.1626(5) 0.1023(3) 0.8570(6) 0.042(3) Uani 1 1 d . . .
C3H C 0.1710(8) 0.0765(4) 0.9020(7) 0.048(4) Uani 1 1 d . . .
H3H H 0.2101 0.0620 0.9022 0.058 Uiso 1 1 calc R . .
C4H C 0.1283(9) 0.0698(5) 0.9466(8) 0.062(5) Uani 1 1 d . . .
H4H H 0.1388 0.0523 0.9791 0.075 Uiso 1 1 calc R . .
C5H C 0.0677(9) 0.0887(5) 0.9448(8) 0.069(5) Uani 1 1 d . . .
H5H H 0.0353 0.0833 0.9742 0.083 Uiso 1 1 calc R . .
C6H C 0.0561(8) 0.1159(4) 0.8987(8) 0.060(5) Uani 1 1 d . . .
H6H H 0.0159 0.1295 0.8962 0.072 Uiso 1 1 calc R . .
C1I C 0.0474(7) 0.1294(4) 0.7308(7) 0.039(3) Uani 1 1 d . . .
C2I C -0.0167(7) 0.1163(4) 0.7440(8) 0.054(4) Uani 1 1 d . . .
H2I H -0.0357 0.1231 0.7825 0.064 Uiso 1 1 calc R . .
C3I C -0.0518(7) 0.0935(5) 0.7004(9) 0.069(5) Uani 1 1 d . . .
H3I H -0.0944 0.0845 0.7091 0.083 Uiso 1 1 calc R . .
C4I C -0.0230(9) 0.0843(5) 0.6438(9) 0.076(6) Uani 1 1 d . . .
H4I H -0.0466 0.0691 0.6137 0.091 Uiso 1 1 calc R . .
C5I C 0.0398(8) 0.0972(4) 0.6308(8) 0.058(4) Uani 1 1 d . . .
H5I H 0.0582 0.0911 0.5917 0.069 Uiso 1 1 calc R . .
C6I C 0.0760(8) 0.1192(4) 0.6757(7) 0.049(4) Uani 1 1 d . . .
H6I H 0.1197 0.1269 0.6680 0.058 Uiso 1 1 calc R . .
C1J C 0.3454(6) 0.1919(4) 0.8135(7) 0.038(4) Uani 1 1 d . . .
C2J C 0.3460(7) 0.2212(4) 0.8529(8) 0.049(4) Uani 1 1 d . . .
H2J H 0.3138 0.2229 0.8838 0.059 Uiso 1 1 calc R . .
C3J C 0.3931(9) 0.2492(5) 0.8489(9) 0.066(5) Uani 1 1 d . . .
H3J H 0.3926 0.2697 0.8764 0.079 Uiso 1 1 calc R . .
C4J C 0.4408(8) 0.2464(5) 0.8034(10) 0.071(6) Uani 1 1 d . . .
H4J H 0.4725 0.2653 0.7992 0.085 Uiso 1 1 calc R . .
C5J C 0.4415(8) 0.2161(5) 0.7650(9) 0.067(5) Uani 1 1 d . . .
H5J H 0.4755 0.2136 0.7360 0.080 Uiso 1 1 calc R . .
C6J C 0.3939(6) 0.1890(4) 0.7674(7) 0.046(4) Uani 1 1 d . . .
H6J H 0.3936 0.1689 0.7389 0.056 Uiso 1 1 calc R . .
C1K C 0.3051(7) 0.1168(4) 0.7850(6) 0.039(3) Uani 1 1 d . . .
C2K C 0.2611(6) 0.0934(4) 0.7496(6) 0.037(3) Uani 1 1 d . . .
H2K H 0.2172 0.1014 0.7381 0.045 Uiso 1 1 calc R . .
C3K C 0.2803(7) 0.0590(4) 0.7311(7) 0.048(4) Uani 1 1 d . . .
H3K H 0.2502 0.0441 0.7062 0.057 Uiso 1 1 calc R . .
C4K C 0.3435(8) 0.0464(5) 0.7489(8) 0.063(5) Uani 1 1 d . . .
H4K H 0.3564 0.0226 0.7370 0.076 Uiso 1 1 calc R . .
C5K C 0.3874(9) 0.0681(5) 0.7836(9) 0.075(6) Uani 1 1 d . . .
H5K H 0.4306 0.0592 0.7959 0.090 Uiso 1 1 calc R . .
C6K C 0.3683(8) 0.1047(5) 0.8018(8) 0.060(5) Uani 1 1 d . . .
H6K H 0.3992 0.1200 0.8250 0.072 Uiso 1 1 calc R . .
C1L C 0.2654(7) 0.1556(4) 0.8999(6) 0.043(4) Uani 1 1 d . . .
N2L N 0.2128(7) 0.1745(3) 0.9228(7) 0.059(4) Uani 1 1 d . . .
C3L C 0.2079(9) 0.1723(5) 0.9849(7) 0.059(5) Uani 1 1 d . . .
H3L H 0.1755 0.1874 1.0025 0.071 Uiso 1 1 calc R . .
C4L C 0.2444(9) 0.1506(6) 1.0266(8) 0.069(5) Uani 1 1 d . . .
H4L H 0.2357 0.1490 1.0704 0.083 Uiso 1 1 calc R . .
C5L C 0.2946(9) 0.1311(5) 1.0013(9) 0.070(5) Uani 1 1 d . . .
H5L H 0.3212 0.1155 1.0283 0.084 Uiso 1 1 calc R . .
C6L C 0.3075(8) 0.1335(5) 0.9386(8) 0.057(5) Uani 1 1 d . . .
H6L H 0.3435 0.1207 0.9219 0.069 Uiso 1 1 calc R . .
C1M C 0.2694(6) 0.4505(4) 0.5611(6) 0.032(3) Uani 1 1 d . . .
C2M C 0.2749(7) 0.4725(4) 0.5085(7) 0.044(4) Uani 1 1 d . . .
H2M H 0.3085 0.4676 0.4801 0.053 Uiso 1 1 calc R . .
C3M C 0.2318(8) 0.5022(4) 0.4961(8) 0.052(4) Uani 1 1 d . . .
H3M H 0.2349 0.5165 0.4588 0.062 Uiso 1 1 calc R . .
C4M C 0.1846(8) 0.5101(4) 0.5398(8) 0.060(5) Uani 1 1 d . . .
H4M H 0.1581 0.5314 0.5341 0.072 Uiso 1 1 calc R . .
C5M C 0.1754(7) 0.4871(4) 0.5919(7) 0.049(4) Uani 1 1 d . . .
H5M H 0.1397 0.4912 0.6184 0.059 Uiso 1 1 calc R . .
C6M C 0.2190(6) 0.4586(4) 0.6040(7) 0.042(4) Uani 1 1 d . . .
H6M H 0.2155 0.4442 0.6411 0.050 Uiso 1 1 calc R . .
C1N C 0.4110(6) 0.4325(4) 0.5847(6) 0.037(3) Uani 1 1 d . . .
N2N N 0.4588(5) 0.4069(4) 0.5995(6) 0.048(3) Uani 1 1 d . . .
C3N C 0.5238(7) 0.4188(5) 0.6072(7) 0.053(4) Uani 1 1 d . . .
H3N H 0.5581 0.4016 0.6172 0.064 Uiso 1 1 calc R . .
C4N C 0.5401(7) 0.4557(5) 0.6006(7) 0.059(5) Uani 1 1 d . . .
H4N H 0.5853 0.4632 0.6062 0.071 Uiso 1 1 calc R . .
C5N C 0.4915(7) 0.4814(5) 0.5861(8) 0.061(5) Uani 1 1 d . . .
H5N H 0.5025 0.5064 0.5811 0.074 Uiso 1 1 calc R . .
C6N C 0.4246(7) 0.4693(4) 0.5789(7) 0.046(4) Uani 1 1 d . . .
H6N H 0.3895 0.4862 0.5703 0.055 Uiso 1 1 calc R . .
C1P C 0.3248(7) 0.3879(4) 0.5019(7) 0.040(3) Uani 1 1 d . . .
C2P C 0.2666(7) 0.3865(4) 0.4612(7) 0.048(4) Uani 1 1 d . . .
H2P H 0.2277 0.3988 0.4727 0.057 Uiso 1 1 calc R . .
C3P C 0.2653(9) 0.3673(5) 0.4045(7) 0.064(5) Uani 1 1 d . . .
H3P H 0.2258 0.3666 0.3774 0.077 Uiso 1 1 calc R . .
C4P C 0.3207(10) 0.3493(5) 0.3876(9) 0.068(5) Uani 1 1 d . . .
H4P H 0.3205 0.3369 0.3480 0.082 Uiso 1 1 calc R . .
C5P C 0.3767(9) 0.3493(5) 0.4283(9) 0.070(5) Uani 1 1 d . . .
H5P H 0.4142 0.3354 0.4176 0.084 Uiso 1 1 calc R . .
C6P C 0.3800(7) 0.3691(4) 0.4846(8) 0.050(4) Uani 1 1 d . . .
H6P H 0.4200 0.3697 0.5110 0.060 Uiso 1 1 calc R . .
C1Q C 0.4589(6) 0.3709(4) 0.7344(6) 0.028(3) Uani 1 1 d . . .
N2Q N 0.5156(6) 0.3841(4) 0.7652(6) 0.054(4) Uani 1 1 d . . .
C3Q C 0.5727(8) 0.3642(5) 0.7630(11) 0.085(7) Uani 1 1 d . . .
H3Q H 0.6122 0.3741 0.7830 0.102 Uiso 1 1 calc R . .
C4Q C 0.5768(8) 0.3316(5) 0.7347(8) 0.060(5) Uani 1 1 d . . .
H4Q H 0.6178 0.3189 0.7350 0.072 Uiso 1 1 calc R . .
C5Q C 0.5186(8) 0.3169(5) 0.7043(8) 0.056(4) Uani 1 1 d . . .
H5Q H 0.5189 0.2941 0.6831 0.067 Uiso 1 1 calc R . .
C6Q C 0.4602(7) 0.3373(4) 0.7068(7) 0.051(4) Uani 1 1 d . . .
H6Q H 0.4199 0.3274 0.6885 0.061 Uiso 1 1 calc R . .
C1R C 0.3672(6) 0.3893(4) 0.8238(6) 0.033(3) Uani 1 1 d . . .
C2R C 0.3699(6) 0.3537(4) 0.8486(7) 0.044(4) Uani 1 1 d . . .
H2R H 0.3803 0.3339 0.8221 0.053 Uiso 1 1 calc R . .
C3R C 0.3574(8) 0.3478(5) 0.9108(8) 0.057(4) Uani 1 1 d . . .
H3R H 0.3583 0.3235 0.9265 0.069 Uiso 1 1 calc R . .
C4R C 0.3432(9) 0.3763(6) 0.9525(8) 0.068(5) Uani 1 1 d . . .
H4R H 0.3364 0.3718 0.9960 0.082 Uiso 1 1 calc R . .
C5R C 0.3397(9) 0.4104(6) 0.9280(10) 0.079(6) Uani 1 1 d . . .
H5R H 0.3294 0.4301 0.9552 0.095 Uiso 1 1 calc R . .
C6R C 0.3504(8) 0.4179(5) 0.8646(8) 0.058(4) Uani 1 1 d . . .
H6R H 0.3465 0.4421 0.8488 0.070 Uiso 1 1 calc R . .
C1S C 0.3989(6) 0.4458(3) 0.7357(6) 0.030(3) Uani 1 1 d . . .
C2S C 0.3460(6) 0.4684(4) 0.7195(6) 0.033(3) Uani 1 1 d . . .
H2S H 0.3032 0.4582 0.7106 0.039 Uiso 1 1 calc R . .
C3S C 0.3537(8) 0.5046(5) 0.7160(7) 0.053(4) Uani 1 1 d . . .
H3S H 0.3169 0.5192 0.7016 0.064 Uiso 1 1 calc R . .
C4S C 0.4155(9) 0.5216(5) 0.7334(9) 0.072(5) Uani 1 1 d . . .
H4S H 0.4191 0.5473 0.7360 0.086 Uiso 1 1 calc R . .
C5S C 0.4697(9) 0.4996(5) 0.7463(10) 0.075(6) Uani 1 1 d . . .
H5S H 0.5126 0.5100 0.7533 0.090 Uiso 1 1 calc R . .
C6S C 0.4617(8) 0.4622(5) 0.7492(8) 0.061(5) Uani 1 1 d . . .
H6S H 0.4992 0.4473 0.7605 0.073 Uiso 1 1 calc R . .
C1T C 0.1423(6) 0.3291(4) 0.8485(7) 0.033(3) Uani 1 1 d . . .
N2T N 0.1377(5) 0.2954(3) 0.8184(5) 0.034(3) Uani 1 1 d . . .
C3T C 0.1624(6) 0.2664(4) 0.8544(6) 0.038(3) Uani 1 1 d . . .
H3T H 0.1603 0.2428 0.8359 0.046 Uiso 1 1 calc R . .
C4T C 0.1903(7) 0.2699(4) 0.9159(7) 0.045(4) Uani 1 1 d . . .
H4T H 0.2057 0.2490 0.9391 0.054 Uiso 1 1 calc R . .
C5T C 0.1954(7) 0.3042(4) 0.9432(7) 0.043(4) Uani 1 1 d . . .
H5T H 0.2146 0.3073 0.9852 0.052 Uiso 1 1 calc R . .
C6T C 0.1720(7) 0.3339(4) 0.9081(7) 0.047(4) Uani 1 1 d . . .
H6T H 0.1766 0.3577 0.9255 0.056 Uiso 1 1 calc R . .
C1U C 0.1394(6) 0.4087(4) 0.8327(7) 0.035(3) Uani 1 1 d . . .
C2U C 0.1870(6) 0.4302(4) 0.8054(7) 0.036(3) Uani 1 1 d . . .
H2U H 0.2042 0.4225 0.7666 0.043 Uiso 1 1 calc R . .
C3U C 0.2104(7) 0.4628(4) 0.8330(8) 0.045(4) Uani 1 1 d . . .
H3U H 0.2421 0.4774 0.8132 0.055 Uiso 1 1 calc R . .
C4U C 0.1864(8) 0.4729(5) 0.8894(10) 0.068(5) Uani 1 1 d . . .
H4U H 0.2018 0.4950 0.9085 0.081 Uiso 1 1 calc R . .
C5U C 0.1393(10) 0.4518(5) 0.9208(9) 0.074(6) Uani 1 1 d . . .
H5U H 0.1239 0.4593 0.9605 0.089 Uiso 1 1 calc R . .
C6U C 0.1167(8) 0.4202(5) 0.8920(8) 0.057(4) Uani 1 1 d . . .
H6U H 0.0852 0.4058 0.9122 0.069 Uiso 1 1 calc R . .
C1V C 0.0203(6) 0.3662(4) 0.8109(6) 0.033(3) Uani 1 1 d . . .
C2V C -0.0139(6) 0.3341(4) 0.8207(6) 0.036(3) Uani 1 1 d . . .
H2V H 0.0089 0.3115 0.8218 0.043 Uiso 1 1 calc R . .
C3V C -0.0841(6) 0.3354(4) 0.8294(6) 0.037(3) Uani 1 1 d . . .
H3V H -0.1074 0.3138 0.8390 0.044 Uiso 1 1 calc R . .
C4V C -0.1162(7) 0.3672(4) 0.8239(8) 0.049(4) Uani 1 1 d . . .
H4V H -0.1630 0.3674 0.8270 0.059 Uiso 1 1 calc R . .
C5V C -0.0841(7) 0.3998(4) 0.8138(8) 0.053(4) Uani 1 1 d . . .
H5V H -0.1086 0.4219 0.8118 0.064 Uiso 1 1 calc R . .
C6V C -0.0163(7) 0.4003(4) 0.8068(7) 0.045(4) Uani 1 1 d . . .
H6V H 0.0060 0.4226 0.7994 0.054 Uiso 1 1 calc R . .
C1W C -0.0210(6) 0.3413(4) 0.6606(6) 0.036(3) Uani 1 1 d . . .
N2W N 0.0006(5) 0.3057(3) 0.6670(5) 0.031(3) Uani 1 1 d . . .
C3W C -0.0472(7) 0.2801(4) 0.6738(7) 0.044(4) Uani 1 1 d . . .
H3W H -0.0344 0.2552 0.6755 0.053 Uiso 1 1 calc R . .
C4W C -0.1146(6) 0.2889(4) 0.6785(7) 0.039(3) Uani 1 1 d . . .
H4W H -0.1459 0.2700 0.6849 0.047 Uiso 1 1 calc R . .
C5W C -0.1354(7) 0.3238(4) 0.6739(7) 0.048(4) Uani 1 1 d . . .
H5W H -0.1809 0.3296 0.6773 0.058 Uiso 1 1 calc R . .
C6W C -0.0885(6) 0.3518(4) 0.6641(7) 0.038(3) Uani 1 1 d . . .
H6W H -0.1018 0.3766 0.6601 0.046 Uiso 1 1 calc R . .
C1X C 0.0399(7) 0.3690(4) 0.5509(7) 0.044(4) Uani 1 1 d . . .
C2X C -0.0009(7) 0.3435(4) 0.5171(7) 0.045(4) Uani 1 1 d . . .
H2X H -0.0241 0.3258 0.5402 0.054 Uiso 1 1 calc R . .
C3X C -0.0084(8) 0.3432(5) 0.4501(8) 0.062(5) Uani 1 1 d . . .
H3X H -0.0349 0.3252 0.4284 0.074 Uiso 1 1 calc R . .
C4X C 0.0228(9) 0.3692(6) 0.4173(9) 0.074(6) Uani 1 1 d . . .
H4X H 0.0154 0.3699 0.3723 0.089 Uiso 1 1 calc R . .
C5X C 0.0654(9) 0.3947(6) 0.4469(8) 0.069(5) Uani 1 1 d . . .
H5X H 0.0885 0.4119 0.4227 0.083 Uiso 1 1 calc R . .
C6X C 0.0732(8) 0.3945(5) 0.5134(8) 0.055(4) Uani 1 1 d . . .
H6X H 0.1018 0.4120 0.5342 0.066 Uiso 1 1 calc R . .
C1Y C 0.0134(7) 0.4197(4) 0.6453(7) 0.042(4) Uani 1 1 d . . .
C2Y C 0.0438(7) 0.4442(4) 0.6876(8) 0.054(4) Uani 1 1 d . . .
H2Y H 0.0835 0.4370 0.7109 0.064 Uiso 1 1 calc R . .
C3Y C 0.0192(8) 0.4790(4) 0.6978(9) 0.062(5) Uani 1 1 d . . .
H3Y H 0.0408 0.4948 0.7283 0.074 Uiso 1 1 calc R . .
C4Y C -0.0372(8) 0.4900(5) 0.6629(9) 0.069(5) Uani 1 1 d . . .
H4Y H -0.0546 0.5136 0.6692 0.082 Uiso 1 1 calc R . .
C5Y C -0.0702(8) 0.4660(5) 0.6166(10) 0.073(6) Uani 1 1 d . . .
H5Y H -0.1087 0.4737 0.5920 0.088 Uiso 1 1 calc R . .
C6Y C -0.0450(7) 0.4320(5) 0.6092(8) 0.060(5) Uani 1 1 d . . .
H6Y H -0.0667 0.4160 0.5792 0.073 Uiso 1 1 calc R . .
P9 P 0.1713(2) 0.24799(13) 0.1232(2) 0.0554(11) Uani 1 1 d . . .
P10 P 0.7313(2) 0.42306(14) 0.6835(3) 0.0669(14) Uani 1 1 d . . .
F1 F 0.1217(6) 0.2525(3) 0.1785(6) 0.103(4) Uani 1 1 d . . .
F2 F 0.2213(5) 0.2438(3) 0.0670(5) 0.089(4) Uani 1 1 d . . .
F3 F 0.2313(6) 0.2638(4) 0.1704(6) 0.124(5) Uani 1 1 d . . .
F4 F 0.1147(5) 0.2314(4) 0.0784(6) 0.132(6) Uani 1 1 d . . .
F5 F 0.1585(9) 0.2880(4) 0.1025(7) 0.144(6) Uani 1 1 d . . .
F6 F 0.1924(7) 0.2089(4) 0.1467(6) 0.116(5) Uani 1 1 d . . .
F7 F 0.6694(5) 0.4388(4) 0.7168(6) 0.104(4) Uani 1 1 d . . .
F8 F 0.7912(5) 0.4073(4) 0.6456(8) 0.140(6) Uani 1 1 d . . .
F9 F 0.6825(6) 0.3947(4) 0.6502(9) 0.151(7) Uani 1 1 d . . .
F10 F 0.7799(6) 0.4509(5) 0.7179(8) 0.153(7) Uani 1 1 d . . .
F11 F 0.7149(7) 0.4502(5) 0.6277(7) 0.159(7) Uani 1 1 d . . .
F12 F 0.7445(8) 0.3967(6) 0.7403(11) 0.231(12) Uani 1 1 d . . .
P11 P 0.0716(4) 0.3904(3) 0.2396(4) 0.089(3) Uani 0.601(6) 1 d PD A 1
F13 F 0.0180(9) 0.3655(6) 0.2682(12) 0.137(7) Uani 0.601(6) 1 d PD A 1
F14 F 0.1257(9) 0.4151(6) 0.2113(12) 0.137(7) Uani 0.601(6) 1 d PD A 1
F15 F 0.1287(9) 0.3793(9) 0.2897(10) 0.171(10) Uani 0.601(6) 1 d PD A 1
F17 F 0.0566(11) 0.4245(6) 0.2808(13) 0.157(8) Uani 0.601(6) 1 d PD A 1
F16 F 0.0205(9) 0.4053(9) 0.1859(9) 0.171(10) Uani 0.601(6) 1 d PD A 1
F18 F 0.0948(11) 0.3584(6) 0.1962(13) 0.157(8) Uani 0.601(6) 1 d PD A 1
C1Z C 0.0481(12) 0.3531(7) 0.0655(10) 0.153(12) Uani 1 1 d D . .
H1Z1 H 0.0080 0.3615 0.0860 0.184 Uiso 1 1 calc R A 1
H1Z2 H 0.0733 0.3359 0.0942 0.184 Uiso 1 1 calc R A 1
Cl1Z Cl 0.0277(3) 0.3335(3) -0.0103(5) 0.157(3) Uani 1 1 d D A .
Cl2Z Cl 0.0971(10) 0.3892(5) 0.0439(6) 0.220(10) Uani 0.601(6) 1 d PD A 1
Cl3Z Cl 0.0010(10) 0.3520(6) 0.1349(7) 0.146(8) Uani 0.399(6) 1 d PD A 2
P12 P 0.2426(8) 0.4032(5) 0.1168(8) 0.104(6) Uani 0.399(6) 1 d PD A 2
F15A F 0.2148(19) 0.3853(10) 0.0529(12) 0.221(17) Uiso 0.399(6) 1 d PD A 2
F14A F 0.2995(15) 0.4216(10) 0.0811(16) 0.230(14) Uiso 0.399(6) 1 d PD A 2
F13A F 0.1850(15) 0.3851(10) 0.1524(16) 0.230(14) Uiso 0.399(6) 1 d PD A 2
F16A F 0.2692(18) 0.4216(10) 0.1806(12) 0.221(17) Uiso 0.399(6) 1 d PD A 2
F17A F 0.2875(18) 0.3693(8) 0.1319(19) 0.230(14) Uiso 0.399(6) 1 d PD A 2
F18A F 0.1971(17) 0.4374(8) 0.1019(18) 0.230(14) Uiso 0.399(6) 1 d PD A 2
C2Z C 0.2457(16) 0.3586(13) 0.1756(15) 0.18(3) Uani 0.601(6) 1 d PD A 1
H2Z1 H 0.2239 0.3768 0.2019 0.216 Uiso 0.601(6) 1 calc PR A 1
H2Z2 H 0.2126 0.3393 0.1641 0.216 Uiso 0.601(6) 1 calc PR A 1
Cl4Z Cl 0.3105(6) 0.3396(5) 0.2199(5) 0.158(6) Uani 0.601(6) 1 d PD A 1
Cl5Z Cl 0.2685(11) 0.3794(8) 0.1066(9) 0.287(16) Uani 0.601(6) 1 d PD A 1
C4Z C 0.716(2) 0.4919(11) 0.914(3) 0.18(3) Uani 0.50 1 d PDU . .
H4Z1 H 0.7001 0.4924 0.9578 0.219 Uiso 0.50 1 calc PR . .
H4Z2 H 0.7438 0.5137 0.9099 0.219 Uiso 0.50 1 calc PR . .
Cl3X Cl 0.6466(8) 0.4982(5) 0.8635(10) 0.171(8) Uani 0.50 1 d PDU . .
Cl4X Cl 0.7674(10) 0.4548(8) 0.9107(10) 0.232(12) Uani 0.50 1 d PDU . .
C3Z C 0.3170(11) 0.4705(9) 0.3094(18) 0.26(2) Uani 1 1 d DU . .
H3Z1 H 0.3025 0.4923 0.3324 0.314 Uiso 1 1 calc R A 1
H3Z2 H 0.3372 0.4787 0.2703 0.314 Uiso 1 1 calc R A 1
Cl1X Cl 0.3746(4) 0.4475(2) 0.3561(4) 0.154(3) Uani 1 1 d DU A .
Cl2X Cl 0.2506(14) 0.4442(8) 0.2895(17) 0.44(3) Uani 0.601(6) 1 d PDU A 1
Cl2Y Cl 0.2377(10) 0.4559(7) 0.3302(14) 0.263(19) Uani 0.399(6) 1 d PDU A 2
C10Z C 0.1251(13) 0.0117(9) 0.5811(15) 0.180(14) Uiso 1 1 d D . .
H10A H 0.1382 0.0130 0.6267 0.271 Uiso 1 1 calc R . .
H10B H 0.1295 0.0358 0.5618 0.271 Uiso 1 1 calc R . .
H10C H 0.1539 -0.0057 0.5606 0.271 Uiso 1 1 calc R . .
C11Z C 0.0500(13) -0.0015(9) 0.5716(13) 0.148(11) Uiso 1 1 d D . .
H11A H 0.0445 -0.0260 0.5904 0.178 Uiso 1 1 calc R . .
H11B H 0.0200 0.0158 0.5918 0.178 Uiso 1 1 calc R . .
C12Z C 0.0359(5) -0.0024(11) 0.5030(15) 0.197(16) Uiso 1 1 d D . .
H12A H 0.0590 0.0175 0.4817 0.236 Uiso 1 1 calc R . .
H12B H 0.0490 -0.0261 0.4848 0.236 Uiso 1 1 calc R . .
C5Z C 0.9387(15) 0.5208(12) 0.864(2) 0.036(13) Uiso 0.25 1 d PD . .
H5Z1 H 0.9364 0.5469 0.8758 0.043 Uiso 0.25 1 calc PR . .
H5Z2 H 0.9179 0.5176 0.8205 0.043 Uiso 0.25 1 calc PR . .
Cl5X Cl 0.9002(16) 0.4946(12) 0.917(2) 0.210(18) Uiso 0.25 1 d PD . .
Cl6X Cl 1.0187(11) 0.5060(8) 0.8683(13) 0.117(8) Uiso 0.25 1 d PD . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Pt1 P2 96.35(12) . . ?
P1 Pt1 S2 92.33(11) . . ?
P2 Pt1 S2 170.54(11) . . ?
P1 Pt1 S1 175.70(11) . . ?
P2 Pt1 S1 87.87(11) . . ?
S2 Pt1 S1 83.40(10) . . ?
P1 Pt1 Pd3 92.63(10) . . ?
P2 Pt1 Pd3 89.65(9) . . ?
S2 Pt1 Pd3 93.70(8) . . ?
S1 Pt1 Pd3 88.19(9) . . ?
P3 Pt2 P4 102.24(13) . . ?
P3 Pt2 S1 167.31(12) . . ?
P4 Pt2 S1 88.89(12) . . ?
P3 Pt2 S2 85.92(11) . . ?
P4 Pt2 S2 171.77(12) . . ?
S1 Pt2 S2 83.12(10) . . ?
P5 Pt3 P6 97.83(12) . . ?
P5 Pt3 S3 170.04(11) . . ?
P6 Pt3 S3 90.65(11) . . ?
P5 Pt3 S4 88.13(12) . . ?
P6 Pt3 S4 173.31(12) . . ?
S3 Pt3 S4 83.15(11) . . ?
P5 Pt3 Pt4 122.76(8) . . ?
P6 Pt3 Pt4 126.67(8) . . ?
S3 Pt3 Pt4 47.32(7) . . ?
S4 Pt3 Pt4 46.78(8) . . ?
P7 Pt4 P8 97.56(13) . . ?
P7 Pt4 S4 93.77(12) . . ?
P8 Pt4 S4 167.29(12) . . ?
P7 Pt4 S3 176.28(13) . . ?
P8 Pt4 S3 85.69(12) . . ?
S4 Pt4 S3 83.19(11) . . ?
P7 Pt4 Pd1 92.17(9) . . ?
P8 Pt4 Pd1 88.35(9) . . ?
S4 Pt4 Pd1 96.97(9) . . ?
S3 Pt4 Pd1 86.09(8) . . ?
P7 Pt4 Pt3 132.08(9) . . ?
P8 Pt4 Pt3 119.74(9) . . ?
S4 Pt4 Pt3 47.60(8) . . ?
S3 Pt4 Pt3 46.55(8) . . ?
Pd1 Pt4 Pt3 116.07(3) . . ?
N2W Pd1 S2 104.7(3) . . ?
N2W Pd1 N2T 111.4(3) . . ?
S2 Pd1 N2T 108.2(3) . . ?
N2W Pd1 Pt4 83.5(3) . . ?
S2 Pd1 Pt4 162.81(8) . . ?
N2T Pd1 Pt4 81.9(3) . . ?
N2W Pd1 Pd2 160.3(3) . . ?
S2 Pd1 Pd2 88.74(7) . . ?
N2T Pd1 Pd2 76.9(2) . . ?
Pt4 Pd1 Pd2 79.94(3) . . ?
N2W Pd1 Pd3 107.2(3) . . ?
S2 Pd1 Pd3 86.17(8) . . ?
N2T Pd1 Pd3 133.1(2) . . ?
Pt4 Pd1 Pd3 76.91(3) . . ?
Pd2 Pd1 Pd3 58.62(3) . . ?
S1 Pd2 S3 176.38(12) . . ?
S1 Pd2 Pd1 97.41(8) . . ?
S3 Pd2 Pd1 84.40(8) . . ?
S1 Pd2 Pd3 86.07(8) . . ?
S3 Pd2 Pd3 97.55(8) . . ?
Pd1 Pd2 Pd3 63.36(3) . . ?
N2A Pd3 S4 110.7(3) . . ?
N2A Pd3 N2D 102.5(3) . . ?
S4 Pd3 N2D 102.1(3) . . ?
N2A Pd3 Pt1 81.9(3) . . ?
S4 Pd3 Pt1 165.35(9) . . ?
N2D Pd3 Pt1 81.7(2) . . ?
N2A Pd3 Pd2 160.9(3) . . ?
S4 Pd3 Pd2 87.54(8) . . ?
N2D Pd3 Pd2 78.3(2) . . ?
Pt1 Pd3 Pd2 79.32(3) . . ?
N2A Pd3 Pd1 114.7(2) . . ?
S4 Pd3 Pd1 88.76(8) . . ?
N2D Pd3 Pd1 134.6(2) . . ?
Pt1 Pd3 Pd1 78.83(3) . . ?
Pd2 Pd3 Pd1 58.02(3) . . ?
Pt2 S1 Pt1 87.32(10) . . ?
Pt2 S1 Pd2 105.46(12) . . ?
Pt1 S1 Pd2 100.21(12) . . ?
Pt1 S2 Pt2 87.36(10) . . ?
Pt1 S2 Pd1 100.34(12) . . ?
Pt2 S2 Pd1 111.34(12) . . ?
Pt3 S3 Pt4 86.13(11) . . ?
Pt3 S3 Pd2 107.34(13) . . ?
Pt4 S3 Pd2 100.28(12) . . ?
Pt4 S4 Pt3 85.62(11) . . ?
Pt4 S4 Pd3 97.28(12) . . ?
Pt3 S4 Pd3 117.22(13) . . ?
C1C P1 C1B 100.5(6) . . ?
C1C P1 C1A 109.5(6) . . ?
C1B P1 C1A 102.2(6) . . ?
C1C P1 Pt1 114.0(5) . . ?
C1B P1 Pt1 120.5(5) . . ?
C1A P1 Pt1 109.2(4) . . ?
C1F P2 C1D 103.3(6) . . ?
C1F P2 C1E 102.1(6) . . ?
C1D P2 C1E 101.0(6) . . ?
C1F P2 Pt1 116.6(4) . . ?
C1D P2 Pt1 109.3(4) . . ?
C1E P2 Pt1 122.0(4) . . ?
C1G P3 C1H 101.7(6) . . ?
C1G P3 C1I 106.1(6) . . ?
C1H P3 C1I 99.6(6) . . ?
C1G P3 Pt2 113.1(4) . . ?
C1H P3 Pt2 122.2(4) . . ?
C1I P3 Pt2 112.2(5) . . ?
C1K P4 C1J 105.7(6) . . ?
C1K P4 C1L 105.8(6) . . ?
C1J P4 C1L 99.5(7) . . ?
C1K P4 Pt2 116.0(5) . . ?
C1J P4 Pt2 109.9(4) . . ?
C1L P4 Pt2 118.0(5) . . ?
C1M P5 C1N 105.1(6) . . ?
C1M P5 C1P 101.6(6) . . ?
C1N P5 C1P 102.3(6) . . ?
C1M P5 Pt3 113.9(4) . . ?
C1N P5 Pt3 117.0(5) . . ?
C1P P5 Pt3 115.1(4) . . ?
C1Q P6 C1S 109.7(6) . . ?
C1Q P6 C1R 98.9(6) . . ?
C1S P6 C1R 102.4(6) . . ?
C1Q P6 Pt3 113.0(5) . . ?
C1S P6 Pt3 114.5(4) . . ?
C1R P6 Pt3 116.7(4) . . ?
C1X P7 C1Y 99.2(6) . . ?
C1X P7 C1W 101.8(7) . . ?
C1Y P7 C1W 107.4(6) . . ?
C1X P7 Pt4 118.7(5) . . ?
C1Y P7 Pt4 117.6(4) . . ?
C1W P7 Pt4 110.5(4) . . ?
C1U P8 C1V 102.8(6) . . ?
C1U P8 C1T 105.4(6) . . ?
C1V P8 C1T 101.4(6) . . ?
C1U P8 Pt4 112.9(5) . . ?
C1V P8 Pt4 121.7(4) . . ?
C1T P8 Pt4 111.0(4) . . ?
N2A C1A C6A 122.2(13) . . ?
N2A C1A P1 114.2(10) . . ?
C6A C1A P1 123.6(11) . . ?
C1A N2A C3A 119.1(13) . . ?
C1A N2A Pd3 128.8(9) . . ?
C3A N2A Pd3 109.4(9) . . ?
N2A C3A C4A 120.3(16) . . ?
C5A C4A C3A 120.4(15) . . ?
C4A C5A C6A 120.8(14) . . ?
C5A C6A C1A 117.0(14) . . ?
C2B C1B C6B 118.0(13) . . ?
C2B C1B P1 123.6(11) . . ?
C6B C1B P1 118.3(10) . . ?
C1B C2B C3B 122.2(15) . . ?
C4B C3B C2B 119.2(15) . . ?
C3B C4B C5B 120.7(14) . . ?
C6B C5B C4B 118.0(15) . . ?
C5B C6B C1B 121.9(14) . . ?
C6C C1C C2C 117.5(14) . . ?
C6C C1C P1 123.7(12) . . ?
C2C C1C P1 118.6(11) . . ?
C3C C2C C1C 121.0(15) . . ?
C4C C3C C2C 121.6(17) . . ?
C3C C4C C5C 118.0(18) . . ?
C6C C5C C4C 120.4(17) . . ?
C1C C6C C5C 121.2(16) . . ?
N2D C1D C6D 122.9(13) . . ?
N2D C1D P2 114.3(9) . . ?
C6D C1D P2 122.7(11) . . ?
C1D N2D C3D 119.0(11) . . ?
C1D N2D Pd3 125.0(8) . . ?
C3D N2D Pd3 115.0(9) . . ?
N2D C3D C4D 122.1(15) . . ?
C5D C4D C3D 117.3(14) . . ?
C4D C5D C6D 120.9(13) . . ?
C1D C6D C5D 117.5(14) . . ?
C2E C1E C6E 119.7(13) . . ?
C2E C1E P2 120.8(10) . . ?
C6E C1E P2 119.4(11) . . ?
C1E C2E C3E 119.4(14) . . ?
C4E C3E C2E 120.6(16) . . ?
C3E C4E C5E 120.7(15) . . ?
C6E C5E C4E 119.3(15) . . ?
C5E C6E C1E 120.4(14) . . ?
C6F C1F C2F 118.8(13) . . ?
C6F C1F P2 119.2(10) . . ?
C2F C1F P2 122.0(11) . . ?
C3F C2F C1F 120.1(14) . . ?
C2F C3F C4F 121.7(16) . . ?
C5F C4F C3F 117.5(17) . . ?
C4F C5F C6F 122.8(19) . . ?
C1F C6F C5F 118.9(15) . . ?
C6G C1G C2G 119.9(13) . . ?
C6G C1G P3 122.9(12) . . ?
C2G C1G P3 117.0(10) . . ?
C3G C2G C1G 120.7(15) . . ?
C4G C3G C2G 121.7(17) . . ?
C3G C4G C5G 116.6(15) . . ?
C4G C5G C6G 122.6(15) . . ?
C1G C6G C5G 118.3(16) . . ?
N2H C1H C6H 122.9(13) . . ?
N2H C1H P3 114.6(9) . . ?
C6H C1H P3 122.3(10) . . ?
C3H N2H C1H 116.8(12) . . ?
C4H C3H N2H 124.6(14) . . ?
C3H C4H C5H 119.1(16) . . ?
C6H C5H C4H 118.7(15) . . ?
C1H C6H C5H 117.7(14) . . ?
C6I C1I C2I 120.4(14) . . ?
C6I C1I P3 120.0(11) . . ?
C2I C1I P3 119.4(12) . . ?
C3I C2I C1I 120.0(16) . . ?
C4I C3I C2I 118.9(15) . . ?
C5I C4I C3I 121.1(17) . . ?
C4I C5I C6I 120.0(17) . . ?
C1I C6I C5I 119.6(15) . . ?
C2J C1J C6J 119.6(14) . . ?
C2J C1J P4 118.8(11) . . ?
C6J C1J P4 120.8(11) . . ?
C1J C2J C3J 121.6(17) . . ?
C4J C3J C2J 118.8(18) . . ?
C5J C4J C3J 119.5(17) . . ?
C4J C5J C6J 121.7(18) . . ?
C5J C6J C1J 118.6(15) . . ?
C6K C1K C2K 118.4(14) . . ?
C6K C1K P4 122.4(12) . . ?
C2K C1K P4 119.0(10) . . ?
C3K C2K C1K 121.9(13) . . ?
C2K C3K C4K 119.8(14) . . ?
C5K C4K C3K 120.3(16) . . ?
C4K C5K C6K 120.3(15) . . ?
C1K C6K C5K 119.3(15) . . ?
N2L C1L C6L 122.8(14) . . ?
N2L C1L P4 114.5(10) . . ?
C6L C1L P4 122.7(12) . . ?
C3L N2L C1L 115.0(13) . . ?
N2L C3L C4L 127.0(16) . . ?
C3L C4L C5L 115.7(16) . . ?
C6L C5L C4L 122.2(16) . . ?
C5L C6L C1L 117.0(15) . . ?
C2M C1M C6M 118.5(13) . . ?
C2M C1M P5 122.4(10) . . ?
C6M C1M P5 119.0(10) . . ?
C1M C2M C3M 121.6(14) . . ?
C4M C3M C2M 118.5(14) . . ?
C3M C4M C5M 121.4(14) . . ?
C6M C5M C4M 119.0(14) . . ?
C5M C6M C1M 120.8(13) . . ?
N2N C1N C6N 123.4(12) . . ?
N2N C1N P5 111.3(10) . . ?
C6N C1N P5 125.1(11) . . ?
C1N N2N C3N 117.2(14) . . ?
N2N C3N C4N 121.3(15) . . ?
C5N C4N C3N 120.9(14) . . ?
C4N C5N C6N 117.8(17) . . ?
C1N C6N C5N 119.3(15) . . ?
C6P C1P C2P 118.4(15) . . ?
C6P C1P P5 120.0(11) . . ?
C2P C1P P5 121.6(11) . . ?
C3P C2P C1P 120.9(15) . . ?
C4P C3P C2P 120.0(16) . . ?
C3P C4P C5P 119.5(18) . . ?
C4P C5P C6P 121.7(17) . . ?
C1P C6P C5P 119.4(16) . . ?
C6Q C1Q N2Q 119.1(12) . . ?
C6Q C1Q P6 121.7(10) . . ?
N2Q C1Q P6 118.8(10) . . ?
C3Q N2Q C1Q 118.3(14) . . ?
C4Q C3Q N2Q 124.6(16) . . ?
C3Q C4Q C5Q 118.1(14) . . ?
C6Q C5Q C4Q 117.1(16) . . ?
C1Q C6Q C5Q 122.6(14) . . ?
C2R C1R C6R 118.1(13) . . ?
C2R C1R P6 119.3(11) . . ?
C6R C1R P6 122.5(12) . . ?
C3R C2R C1R 119.9(15) . . ?
C2R C3R C4R 122.4(16) . . ?
C5R C4R C3R 117.3(16) . . ?
C4R C5R C6R 122.5(18) . . ?
C5R C6R C1R 119.7(17) . . ?
C2S C1S C6S 117.5(13) . . ?
C2S C1S P6 116.9(10) . . ?
C6S C1S P6 125.6(11) . . ?
C3S C2S C1S 121.4(13) . . ?
C2S C3S C4S 121.6(15) . . ?
C5S C4S C3S 117.8(17) . . ?
C4S C5S C6S 120.0(16) . . ?
C5S C6S C1S 121.2(15) . . ?
C6T C1T N2T 123.1(12) . . ?
C6T C1T P8 125.3(11) . . ?
N2T C1T P8 111.4(10) . . ?
C3T N2T C1T 115.0(12) . . ?
C3T N2T Pd1 117.3(9) . . ?
C1T N2T Pd1 126.5(8) . . ?
N2T C3T C4T 123.7(14) . . ?
C3T C4T C5T 119.0(14) . . ?
C6T C5T C4T 118.8(14) . . ?
C1T C6T C5T 120.2(14) . . ?
C2U C1U C6U 117.4(13) . . ?
C2U C1U P8 121.2(11) . . ?
C6U C1U P8 121.4(11) . . ?
C1U C2U C3U 122.4(14) . . ?
C4U C3U C2U 117.8(15) . . ?
C3U C4U C5U 122.9(16) . . ?
C6U C5U C4U 117.8(16) . . ?
C5U C6U C1U 121.7(15) . . ?
C2V C1V C6V 119.0(12) . . ?
C2V C1V P8 121.9(10) . . ?
C6V C1V P8 118.8(10) . . ?
C1V C2V C3V 119.6(12) . . ?
C4V C3V C2V 119.5(13) . . ?
C3V C4V C5V 122.6(13) . . ?
C4V C5V C6V 120.2(13) . . ?
C5V C6V C1V 118.9(13) . . ?
N2W C1W C6W 123.2(12) . . ?
N2W C1W P7 112.9(8) . . ?
C6W C1W P7 123.5(11) . . ?
C3W N2W C1W 116.3(11) . . ?
C3W N2W Pd1 112.8(9) . . ?
C1W N2W Pd1 127.9(8) . . ?
N2W C3W C4W 123.0(13) . . ?
C5W C4W C3W 120.5(13) . . ?
C4W C5W C6W 119.5(12) . . ?
C1W C6W C5W 117.3(13) . . ?
C2X C1X C6X 116.0(15) . . ?
C2X C1X P7 123.8(11) . . ?
C6X C1X P7 120.0(12) . . ?
C1X C2X C3X 122.2(15) . . ?
C4X C3X C2X 118.8(17) . . ?
C3X C4X C5X 122.6(18) . . ?
C4X C5X C6X 118.1(18) . . ?
C5X C6X C1X 122.2(16) . . ?
C2Y C1Y C6Y 117.0(14) . . ?
C2Y C1Y P7 121.0(11) . . ?
C6Y C1Y P7 122.0(11) . . ?
C1Y C2Y C3Y 123.2(15) . . ?
C4Y C3Y C2Y 118.5(16) . . ?
C3Y C4Y C5Y 120.8(16) . . ?
C6Y C5Y C4Y 118.5(16) . . ?
C5Y C6Y C1Y 121.9(16) . . ?
F5 P9 F4 95.6(9) . . ?
F5 P9 F6 173.6(9) . . ?
F4 P9 F6 90.4(9) . . ?
F5 P9 F1 90.4(8) . . ?
F4 P9 F1 90.7(7) . . ?
F6 P9 F1 91.9(7) . . ?
F5 P9 F2 89.2(8) . . ?
F4 P9 F2 89.2(6) . . ?
F6 P9 F2 88.6(7) . . ?
F1 P9 F2 179.5(8) . . ?
F5 P9 F3 86.5(9) . . ?
F4 P9 F3 178.0(9) . . ?
F6 P9 F3 87.6(8) . . ?
F1 P9 F3 89.6(7) . . ?
F2 P9 F3 90.5(6) . . ?
F12 P10 F11 177.3(10) . . ?
F12 P10 F10 88.8(11) . . ?
F11 P10 F10 91.6(11) . . ?
F12 P10 F9 90.1(11) . . ?
F11 P10 F9 89.5(10) . . ?
F10 P10 F9 178.9(11) . . ?
F12 P10 F7 89.3(10) . . ?
F11 P10 F7 88.0(7) . . ?
F10 P10 F7 92.5(8) . . ?
F9 P10 F7 87.2(7) . . ?
F12 P10 F8 93.5(11) . . ?
F11 P10 F8 89.2(8) . . ?
F10 P10 F8 89.8(7) . . ?
F9 P10 F8 90.5(8) . . ?
F7 P10 F8 176.4(8) . . ?
F17 P11 F13 95.3(14) . . ?
F17 P11 F14 84.8(14) . . ?
F13 P11 F14 179.5(16) . . ?
F17 P11 F15 89.7(17) . . ?
F13 P11 F15 94.8(14) . . ?
F14 P11 F15 84.7(14) . . ?
F17 P11 F18 173.0(14) . . ?
F13 P11 F18 91.5(15) . . ?
F14 P11 F18 88.4(14) . . ?
F15 P11 F18 87.9(17) . . ?
F17 P11 F16 88.9(17) . . ?
F13 P11 F16 92.5(14) . . ?
F14 P11 F16 88.0(14) . . ?
F15 P11 F16 172.6(16) . . ?
F18 P11 F16 92.7(17) . . ?
Cl2Z C1Z Cl1Z 100.2(11) . . ?
Cl2Z C1Z Cl3Z 124.8(15) . . ?
Cl1Z C1Z Cl3Z 128.3(12) . . ?
F17A P12 F14A 90.5(8) . . ?
F17A P12 F16A 90.3(8) . . ?
F14A P12 F16A 90.3(8) . . ?
F17A P12 F15A 90.6(8) . . ?
F14A P12 F15A 90.0(8) . . ?
F16A P12 F15A 179.0(10) . . ?
F17A P12 F13A 90.0(8) . . ?
F14A P12 F13A 179.5(10) . . ?
F16A P12 F13A 89.8(8) . . ?
F15A P12 F13A 89.9(8) . . ?
F17A P12 F18A 179.7(11) . . ?
F14A P12 F18A 89.8(7) . . ?
F16A P12 F18A 89.6(7) . . ?
F15A P12 F18A 89.5(7) . . ?
F13A P12 F18A 89.7(7) . . ?
Cl4Z C2Z Cl5Z 113.9(18) . . ?
Cl3X C4Z Cl4X 124(2) . . ?
Cl2X C3Z Cl1X 111.4(16) . . ?
Cl2X C3Z Cl2Y 33.9(16) . . ?
Cl1X C3Z Cl2Y 107.7(15) . . ?
C12Z C11Z C10Z 105(2) . . ?
C12Z C12Z C11Z 102(3) 3_556 . ?
Cl5X C5Z Cl6X 104.8(16) . . ?
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
Pt1 P1 2.275(3) . ?
Pt1 P2 2.308(3) . ?
Pt1 S2 2.344(3) . ?
Pt1 S1 2.356(3) . ?
Pt1 Pd3 2.8185(12) . ?
Pt2 P3 2.282(3) . ?
Pt2 P4 2.282(3) . ?
Pt2 S1 2.352(3) . ?
Pt2 S2 2.362(3) . ?
Pt3 P5 2.293(3) . ?
Pt3 P6 2.305(3) . ?
Pt3 S3 2.333(3) . ?
Pt3 S4 2.374(3) . ?
Pt3 Pt4 3.2060(7) . ?
Pt4 P7 2.283(3) . ?
Pt4 P8 2.294(4) . ?
Pt4 S4 2.343(3) . ?
Pt4 S3 2.362(3) . ?
Pt4 Pd1 2.8135(11) . ?
Pd1 N2W 2.398(9) . ?
Pd1 S2 2.485(3) . ?
Pd1 N2T 2.515(11) . ?
Pd1 Pd2 2.8655(13) . ?
Pd1 Pd3 3.0195(14) . ?
Pd2 S1 2.388(3) . ?
Pd2 S3 2.391(3) . ?
Pd2 Pd3 2.8841(14) . ?
Pd3 N2A 2.434(11) . ?
Pd3 S4 2.493(4) . ?
Pd3 N2D 2.555(10) . ?
P1 C1C 1.800(14) . ?
P1 C1B 1.823(13) . ?
P1 C1A 1.841(14) . ?
P2 C1F 1.819(13) . ?
P2 C1D 1.824(14) . ?
P2 C1E 1.846(13) . ?
P3 C1G 1.822(13) . ?
P3 C1H 1.841(14) . ?
P3 C1I 1.842(14) . ?
P4 C1K 1.813(14) . ?
P4 C1J 1.818(14) . ?
P4 C1L 1.859(14) . ?
P5 C1M 1.828(13) . ?
P5 C1N 1.837(13) . ?
P5 C1P 1.839(15) . ?
P6 C1Q 1.814(12) . ?
P6 C1S 1.823(13) . ?
P6 C1R 1.835(13) . ?
P7 C1X 1.817(16) . ?
P7 C1Y 1.822(15) . ?
P7 C1W 1.840(13) . ?
P8 C1U 1.809(13) . ?
P8 C1V 1.832(13) . ?
P8 C1T 1.846(13) . ?
C1A N2A 1.338(17) . ?
C1A C6A 1.401(18) . ?
N2A C3A 1.348(17) . ?
C3A C4A 1.39(2) . ?
C4A C5A 1.33(2) . ?
C5A C6A 1.378(19) . ?
C1B C2B 1.374(19) . ?
C1B C6B 1.391(19) . ?
C2B C3B 1.390(19) . ?
C3B C4B 1.34(2) . ?
C4B C5B 1.44(2) . ?
C5B C6B 1.364(18) . ?
C1C C6C 1.371(18) . ?
C1C C2C 1.41(2) . ?
C2C C3C 1.36(2) . ?
C3C C4C 1.36(2) . ?
C4C C5C 1.41(3) . ?
C5C C6C 1.37(2) . ?
C1D N2D 1.333(16) . ?
C1D C6D 1.381(16) . ?
N2D C3D 1.344(17) . ?
C3D C4D 1.400(19) . ?
C4D C5D 1.38(2) . ?
C5D C6D 1.389(19) . ?
C1E C2E 1.383(19) . ?
C1E C6E 1.408(18) . ?
C2E C3E 1.405(19) . ?
C3E C4E 1.37(2) . ?
C4E C5E 1.39(2) . ?
C5E C6E 1.388(19) . ?
C1F C6F 1.358(19) . ?
C1F C2F 1.403(18) . ?
C2F C3F 1.35(2) . ?
C3F C4F 1.37(2) . ?
C4F C5F 1.35(3) . ?
C5F C6F 1.38(2) . ?
C1G C6G 1.369(18) . ?
C1G C2G 1.380(19) . ?
C2G C3G 1.38(2) . ?
C3G C4G 1.38(2) . ?
C4G C5G 1.39(2) . ?
C5G C6G 1.41(2) . ?
C1H N2H 1.352(16) . ?
C1H C6H 1.377(18) . ?
N2H C3H 1.331(17) . ?
C3H C4H 1.32(2) . ?
C4H C5H 1.39(2) . ?
C5H C6H 1.39(2) . ?
C1I C6I 1.36(2) . ?
C1I C2I 1.407(18) . ?
C2I C3I 1.39(2) . ?
C3I C4I 1.38(2) . ?
C4I C5I 1.38(2) . ?
C5I C6I 1.40(2) . ?
C1J C2J 1.342(19) . ?
C1J C6J 1.410(19) . ?
C2J C3J 1.39(2) . ?
C3J C4J 1.39(2) . ?
C4J C5J 1.36(2) . ?
C5J C6J 1.37(2) . ?
C1K C6K 1.362(18) . ?
C1K C2K 1.399(18) . ?
C2K C3K 1.366(19) . ?
C3K C4K 1.37(2) . ?
C4K C5K 1.35(2) . ?
C5K C6K 1.44(2) . ?
C1L N2L 1.363(18) . ?
C1L C6L 1.384(19) . ?
N2L C3L 1.306(18) . ?
C3L C4L 1.35(2) . ?
C4L C5L 1.36(2) . ?
C5L C6L 1.35(2) . ?
C1M C2M 1.368(18) . ?
C1M C6M 1.418(18) . ?
C2M C3M 1.39(2) . ?
C3M C4M 1.38(2) . ?
C4M C5M 1.39(2) . ?
C5M C6M 1.365(19) . ?
C1N N2N 1.353(17) . ?
C1N C6N 1.367(19) . ?
N2N C3N 1.366(17) . ?
C3N C4N 1.39(2) . ?
C4N C5N 1.36(2) . ?
C5N C6N 1.404(19) . ?
C1P C6P 1.363(19) . ?
C1P C2P 1.395(18) . ?
C2P C3P 1.37(2) . ?
C3P C4P 1.35(2) . ?
C4P C5P 1.36(2) . ?
C5P C6P 1.37(2) . ?
C1Q C6Q 1.349(19) . ?
C1Q N2Q 1.353(16) . ?
N2Q C3Q 1.352(19) . ?
C3Q C4Q 1.33(2) . ?
C4Q C5Q 1.39(2) . ?
C5Q C6Q 1.383(19) . ?
C1R C2R 1.389(19) . ?
C1R C6R 1.395(19) . ?
C2R C3R 1.35(2) . ?
C3R C4R 1.39(2) . ?
C4R C5R 1.34(2) . ?
C5R C6R 1.38(2) . ?
C1S C2S 1.362(17) . ?
C1S C6S 1.401(18) . ?
C2S C3S 1.323(19) . ?
C3S C4S 1.40(2) . ?
C4S C5S 1.36(2) . ?
C5S C6S 1.37(2) . ?
C1T C6T 1.353(19) . ?
C1T N2T 1.376(16) . ?
N2T C3T 1.366(16) . ?
C3T C4T 1.370(19) . ?
C4T C5T 1.37(2) . ?
C5T C6T 1.368(19) . ?
C1U C2U 1.380(18) . ?
C1U C6U 1.406(19) . ?
C2U C3U 1.383(19) . ?
C3U C4U 1.35(2) . ?
C4U C5U 1.41(2) . ?
C5U C6U 1.36(2) . ?
C1V C2V 1.371(17) . ?
C1V C6V 1.438(18) . ?
C2V C3V 1.422(17) . ?
C3V C4V 1.323(19) . ?
C4V C5V 1.37(2) . ?
C5V C6V 1.370(18) . ?
C1W N2W 1.368(16) . ?
C1W C6W 1.405(16) . ?
N2W C3W 1.343(16) . ?
C3W C4W 1.392(18) . ?
C4W C5W 1.335(19) . ?
C5W C6W 1.406(19) . ?
C1X C2X 1.39(2) . ?
C1X C6X 1.41(2) . ?
C2X C3X 1.39(2) . ?
C3X C4X 1.34(2) . ?
C4X C5X 1.38(2) . ?
C5X C6X 1.38(2) . ?
C1Y C2Y 1.37(2) . ?
C1Y C6Y 1.417(18) . ?
C2Y C3Y 1.38(2) . ?
C3Y C4Y 1.36(2) . ?
C4Y C5Y 1.43(2) . ?
C5Y C6Y 1.34(2) . ?
P9 F5 1.532(13) . ?
P9 F4 1.540(11) . ?
P9 F6 1.553(12) . ?
P9 F1 1.574(10) . ?
P9 F2 1.591(10) . ?
P9 F3 1.605(11) . ?
P10 F12 1.531(17) . ?
P10 F11 1.543(13) . ?
P10 F10 1.544(13) . ?
P10 F9 1.550(13) . ?
P10 F7 1.563(11) . ?
P10 F8 1.581(12) . ?
P11 F17 1.546(10) . ?
P11 F13 1.547(9) . ?
P11 F14 1.548(9) . ?
P11 F15 1.549(9) . ?
P11 F18 1.559(10) . ?
P11 F16 1.560(9) . ?
C1Z Cl2Z 1.712(16) . ?
C1Z Cl1Z 1.756(16) . ?
C1Z Cl3Z 1.774(17) . ?
P12 F17A 1.545(10) . ?
P12 F14A 1.548(10) . ?
P12 F16A 1.550(10) . ?
P12 F15A 1.552(10) . ?
P12 F13A 1.553(10) . ?
P12 F18A 1.557(10) . ?
C2Z Cl4Z 1.688(19) . ?
C2Z Cl5Z 1.710(19) . ?
C4Z Cl3X 1.695(19) . ?
C4Z Cl4X 1.70(2) . ?
C3Z Cl2X 1.662(19) . ?
C3Z Cl1X 1.679(19) . ?
C3Z Cl2Y 1.746(19) . ?
C10Z C11Z 1.572(18) . ?
C11Z C12Z 1.440(18) . ?
C12Z C12Z 1.440(19) 3_556 ?
C5Z Cl5X 1.68(2) . ?
C5Z Cl6X 1.681(19) . ?
