#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/06/4120666.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_4120666
loop_
_publ_author_name
'Kohyama, Yuh'
'Murase, Takashi'
'Fujita, Makoto'
_publ_section_title
;
 Metal-Organic Proximity in a Synthetic Pocket.
;
_journal_issue                   8
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2966
_journal_paper_doi               10.1021/ja412582k
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C130 H192 Cl2 N43.67 O61.1 P2 Pd6 Pt Si2'
_chemical_formula_weight         4366.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.628(3)
_cell_length_b                   22.198(3)
_cell_length_c                   41.504(6)
_cell_measurement_reflns_used    9702
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      23.25
_cell_measurement_theta_min      2.33
_cell_volume                     20847(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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      90(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'focusing mirror'
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            132246
_diffrn_reflns_theta_full        23.39
_diffrn_reflns_theta_max         23.39
_diffrn_reflns_theta_min         1.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.309
_exptl_absorpt_correction_T_max  0.8400
_exptl_absorpt_correction_T_min  0.7891
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             8850
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.427
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1255
_refine_ls_number_reflns         15251
_refine_ls_number_restraints     156
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0744
_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)+(0.1034P)²+241.3934P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2045
_refine_ls_wR_factor_ref         0.2232
_reflns_number_gt                11702
_reflns_number_total             15251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja412582k_si_002.cif
_cod_data_source_block           pnma
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        20848(5)
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'C130 H192 Cl2 N43.67 O61.10 P2 Pd6 Pt Si2'
_cod_database_code               4120666
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, 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 0.49457(3) 0.7500 0.082293(15) 0.03247(19) Uani 1 2 d S . .
Pd1 Pd 0.77904(3) 0.45579(3) 0.13137(2) 0.0327(2) Uani 1 1 d . . .
Pd2 Pd 0.51234(5) 0.7500 -0.10251(3) 0.0293(3) Uani 1 2 d S . .
Pd3 Pd 0.19807(3) 0.45957(4) 0.11612(2) 0.0385(2) Uani 1 1 d . . .
Pd4 Pd 0.47227(5) 0.7500 0.34512(3) 0.0284(3) Uani 1 2 d S . .
Cl1 Cl 0.39398(18) 0.7500 0.07876(11) 0.0531(11) Uani 1 2 d S . .
Cl2 Cl 0.59522(18) 0.7500 0.08684(11) 0.0565(12) Uani 1 2 d S . .
P1 P 0.49244(13) 0.64649(13) 0.08157(8) 0.0400(7) Uani 1 1 d . . .
Si1 Si 0.6219(2) 0.7500 0.21032(13) 0.0622(15) Uani 1 2 d S . .
Si2 Si 0.2967(2) 0.7500 0.18794(12) 0.0534(13) Uani 1 2 d S . .
N1 N 0.4840(3) 0.4977(4) 0.1773(2) 0.0293(19) Uani 1 1 d . . .
N2 N 0.5331(4) 0.5519(4) 0.2180(2) 0.032(2) Uani 1 1 d . . .
N3 N 0.4292(4) 0.5533(4) 0.2156(2) 0.033(2) Uani 1 1 d . . .
N4 N 0.4759(4) 0.6875(4) 0.3092(2) 0.031(2) Uani 1 1 d . . .
N5 N 0.2738(4) 0.4740(4) 0.1414(2) 0.038(2) Uani 1 1 d . . .
N6 N 0.7007(3) 0.4690(4) 0.1534(2) 0.031(2) Uani 1 1 d . . .
N7 N 0.7627(4) 0.5337(4) 0.1063(2) 0.033(2) Uani 1 1 d . . .
N8 N 0.7369(5) 0.7500 0.0745(3) 0.032(3) Uani 1 2 d S . .
N9 N 0.6899(4) 0.6967(4) 0.0328(2) 0.035(2) Uani 1 1 d . . .
N10 N 0.5710(5) 0.7500 -0.0656(3) 0.030(3) Uani 1 2 d S . .
N11 N 0.2190(4) 0.5368(4) 0.0913(2) 0.041(2) Uani 1 1 d . . .
N12 N 0.3085(4) 0.6963(4) 0.0210(2) 0.040(2) Uani 1 1 d . . .
N13 N 0.2518(5) 0.7500 0.0595(3) 0.038(3) Uani 1 2 d S . .
N14 N 0.4475(5) 0.7500 -0.0680(3) 0.034(3) Uani 1 2 d S . .
N15 N 0.1206(4) 0.4448(5) 0.0917(3) 0.058(3) Uani 1 1 d . . .
N16 N 0.1760(4) 0.3835(4) 0.1419(3) 0.053(3) Uani 1 1 d . . .
N17 N 0.7959(4) 0.3786(4) 0.1576(3) 0.050(3) Uani 1 1 d . . .
N18 N 0.8596(4) 0.4391(4) 0.1093(3) 0.051(3) Uani 1 1 d . . .
N19 N 0.4540(5) 0.7500 -0.1410(3) 0.040(3) Uani 1 2 d S . .
N20 N 0.5771(5) 0.7500 -0.1366(3) 0.038(3) Uani 1 2 d S . .
N21 N 0.4657(4) 0.6868(4) 0.3812(2) 0.037(2) Uani 1 1 d D . .
C1 C 0.4262(5) 0.6709(5) 0.2939(3) 0.038(3) Uani 1 1 d . . .
H1 H 0.3896 0.6865 0.3013 0.046 Uiso 1 1 calc R . .
C2 C 0.4261(5) 0.6332(5) 0.2684(3) 0.041(3) Uani 1 1 d . . .
H2 H 0.3899 0.6225 0.2583 0.049 Uiso 1 1 calc R . .
C3 C 0.4789(4) 0.6101(4) 0.2570(2) 0.030(2) Uani 1 1 d . . .
C4 C 0.5294(5) 0.6265(5) 0.2730(3) 0.041(3) Uani 1 1 d . . .
H4 H 0.5664 0.6108 0.2662 0.049 Uiso 1 1 calc R . .
C5 C 0.5270(4) 0.6654(5) 0.2987(2) 0.035(2) Uani 1 1 d . . .
H5 H 0.5627 0.6768 0.3092 0.041 Uiso 1 1 calc R . .
C6 C 0.4807(4) 0.5691(4) 0.2288(2) 0.029(2) Uani 1 1 d . . .
C7 C 0.4338(4) 0.5178(4) 0.1895(2) 0.029(2) Uani 1 1 d . . .
C8 C 0.5334(4) 0.5160(4) 0.1924(2) 0.028(2) Uani 1 1 d . . .
C9 C 0.3779(4) 0.5009(4) 0.1734(3) 0.031(2) Uani 1 1 d . . .
C10 C 0.3234(5) 0.5210(5) 0.1848(3) 0.038(3) Uani 1 1 d . . .
H10 H 0.3215 0.5448 0.2038 0.046 Uiso 1 1 calc R . .
C11 C 0.2726(5) 0.5063(5) 0.1685(3) 0.036(3) Uani 1 1 d . . .
H11 H 0.2356 0.5195 0.1767 0.043 Uiso 1 1 calc R . .
C12 C 0.3259(5) 0.4539(5) 0.1301(3) 0.040(3) Uani 1 1 d . . .
H12 H 0.3264 0.4298 0.1112 0.048 Uiso 1 1 calc R . .
C13 C 0.3786(4) 0.4672(5) 0.1452(3) 0.033(2) Uani 1 1 d . . .
H13 H 0.4150 0.4534 0.1365 0.040 Uiso 1 1 calc R . .
C14 C 0.5901(4) 0.4979(4) 0.1799(2) 0.027(2) Uani 1 1 d . . .
C15 C 0.6423(4) 0.5159(4) 0.1943(2) 0.031(2) Uani 1 1 d . . .
H15 H 0.6411 0.5386 0.2137 0.037 Uiso 1 1 calc R . .
C16 C 0.6968(4) 0.5010(5) 0.1807(3) 0.034(2) Uani 1 1 d . . .
H16 H 0.7320 0.5139 0.1911 0.041 Uiso 1 1 calc R . .
C17 C 0.6491(5) 0.4518(5) 0.1387(3) 0.042(3) Uani 1 1 d . . .
H17 H 0.6515 0.4303 0.1190 0.051 Uiso 1 1 calc R . .
C18 C 0.5943(5) 0.4641(5) 0.1510(3) 0.037(3) Uani 1 1 d . . .
H18 H 0.5596 0.4503 0.1404 0.045 Uiso 1 1 calc R . .
C19 C 0.7747(4) 0.5871(5) 0.1204(3) 0.037(3) Uani 1 1 d . . .
H19 H 0.7935 0.5872 0.1409 0.044 Uiso 1 1 calc R . .
C20 C 0.7607(4) 0.6416(5) 0.1063(3) 0.033(2) Uani 1 1 d . . .
H20 H 0.7686 0.6784 0.1171 0.040 Uiso 1 1 calc R . .
C21 C 0.7347(4) 0.6412(5) 0.0759(3) 0.033(2) Uani 1 1 d . . .
C22 C 0.7211(5) 0.5869(5) 0.0619(3) 0.042(3) Uani 1 1 d . . .
H22 H 0.7018 0.5856 0.0416 0.051 Uiso 1 1 calc R . .
C23 C 0.7360(5) 0.5336(5) 0.0779(2) 0.037(3) Uani 1 1 d . . .
H23 H 0.7266 0.4961 0.0681 0.045 Uiso 1 1 calc R . .
C24 C 0.7199(4) 0.6996(5) 0.0603(2) 0.034(2) Uani 1 1 d . . .
C25 C 0.6755(6) 0.7500 0.0193(4) 0.031(3) Uani 1 2 d S . .
C26 C 0.6404(6) 0.7500 -0.0096(3) 0.033(3) Uani 1 2 d S . .
C27 C 0.6227(5) 0.6971(5) -0.0245(3) 0.038(3) Uani 1 1 d . . .
H27 H 0.6343 0.6595 -0.0156 0.046 Uiso 1 1 calc R . .
C28 C 0.5886(5) 0.6982(5) -0.0520(2) 0.036(3) Uani 1 1 d . . .
H28 H 0.5773 0.6611 -0.0616 0.043 Uiso 1 1 calc R . .
C29 C 0.2563(5) 0.5353(6) 0.0663(3) 0.047(3) Uani 1 1 d . . .
H29 H 0.2706 0.4975 0.0590 0.057 Uiso 1 1 calc R . .
C30 C 0.2746(5) 0.5873(6) 0.0506(3) 0.048(3) Uani 1 1 d . . .
H30 H 0.3009 0.5853 0.0329 0.057 Uiso 1 1 calc R . .
C31 C 0.2535(5) 0.6421(5) 0.0616(3) 0.043(3) Uani 1 1 d . . .
C32 C 0.2140(5) 0.6426(6) 0.0871(3) 0.050(3) Uani 1 1 d . . .
H32 H 0.1979 0.6796 0.0946 0.060 Uiso 1 1 calc R . .
C33 C 0.1985(6) 0.5893(6) 0.1014(3) 0.053(3) Uani 1 1 d . . .
H33 H 0.1721 0.5900 0.1192 0.064 Uiso 1 1 calc R . .
C34 C 0.2720(5) 0.6999(5) 0.0460(3) 0.041(3) Uani 1 1 d . . .
C35 C 0.3254(7) 0.7500 0.0094(4) 0.040(4) Uani 1 2 d S . .
C36 C 0.3687(6) 0.7500 -0.0180(4) 0.035(4) Uani 1 2 d S . .
C37 C 0.3888(5) 0.6975(5) -0.0317(3) 0.046(3) Uani 1 1 d . . .
H37 H 0.3752 0.6598 -0.0237 0.055 Uiso 1 1 calc R . .
C38 C 0.4270(5) 0.6988(5) -0.0559(3) 0.040(3) Uani 1 1 d . . .
H38 H 0.4402 0.6618 -0.0649 0.048 Uiso 1 1 calc R . .
C39 C 0.0882(6) 0.3977(6) 0.1082(4) 0.072(4) Uani 1 1 d . . .
H39A H 0.0605 0.3781 0.0930 0.086 Uiso 1 1 calc R . .
H39B H 0.0647 0.4155 0.1260 0.086 Uiso 1 1 calc R . .
C40 C 0.1299(6) 0.3517(7) 0.1216(4) 0.080(5) Uani 1 1 d . . .
H40A H 0.1493 0.3296 0.1038 0.096 Uiso 1 1 calc R . .
H40B H 0.1079 0.3223 0.1349 0.096 Uiso 1 1 calc R . .
C41 C 0.1530(6) 0.4003(6) 0.1736(3) 0.061(4) Uani 1 1 d . . .
H41A H 0.1194 0.4278 0.1709 0.092 Uiso 1 1 calc R . .
H41B H 0.1841 0.4204 0.1860 0.092 Uiso 1 1 calc R . .
H41C H 0.1400 0.3641 0.1851 0.092 Uiso 1 1 calc R . .
C42 C 0.2271(6) 0.3410(6) 0.1462(5) 0.084(5) Uani 1 1 d . . .
H42A H 0.2427 0.3296 0.1251 0.127 Uiso 1 1 calc R . .
H42B H 0.2137 0.3048 0.1576 0.127 Uiso 1 1 calc R . .
H42C H 0.2582 0.3608 0.1588 0.127 Uiso 1 1 calc R . .
C43 C 0.0821(6) 0.5000(7) 0.0890(4) 0.073(4) Uani 1 1 d . . .
H43A H 0.1019 0.5301 0.0755 0.109 Uiso 1 1 calc R . .
H43B H 0.0752 0.5168 0.1105 0.109 Uiso 1 1 calc R . .
H43C H 0.0442 0.4889 0.0792 0.109 Uiso 1 1 calc R . .
C44 C 0.1343(7) 0.4249(8) 0.0591(4) 0.087(5) Uani 1 1 d . . .
H44A H 0.0976 0.4208 0.0467 0.130 Uiso 1 1 calc R . .
H44B H 0.1545 0.3859 0.0600 0.130 Uiso 1 1 calc R . .
H44C H 0.1600 0.4546 0.0487 0.130 Uiso 1 1 calc R . .
C45 C 0.8893(6) 0.3928(6) 0.1297(4) 0.062(4) Uani 1 1 d . . .
H45A H 0.9213 0.3730 0.1173 0.075 Uiso 1 1 calc R . .
H45B H 0.9071 0.4121 0.1489 0.075 Uiso 1 1 calc R . .
C46 C 0.8450(6) 0.3475(6) 0.1398(4) 0.063(4) Uani 1 1 d . . .
H46A H 0.8638 0.3171 0.1540 0.075 Uiso 1 1 calc R . .
H46B H 0.8289 0.3265 0.1207 0.075 Uiso 1 1 calc R . .
C47 C 0.8500(6) 0.4172(7) 0.0760(3) 0.064(4) Uani 1 1 d . . .
H47A H 0.8311 0.4489 0.0632 0.096 Uiso 1 1 calc R . .
H47B H 0.8244 0.3816 0.0764 0.096 Uiso 1 1 calc R . .
H47C H 0.8881 0.4066 0.0663 0.096 Uiso 1 1 calc R . .
C48 C 0.8973(5) 0.4939(6) 0.1069(3) 0.057(4) Uani 1 1 d . . .
H48A H 0.9353 0.4833 0.0971 0.086 Uiso 1 1 calc R . .
H48B H 0.9041 0.5104 0.1285 0.086 Uiso 1 1 calc R . .
H48C H 0.8774 0.5241 0.0936 0.086 Uiso 1 1 calc R . .
C49 C 0.7443(6) 0.3376(6) 0.1595(4) 0.074(5) Uani 1 1 d . . .
H49A H 0.7301 0.3286 0.1378 0.111 Uiso 1 1 calc R . .
H49B H 0.7128 0.3569 0.1719 0.111 Uiso 1 1 calc R . .
H49C H 0.7561 0.3001 0.1702 0.111 Uiso 1 1 calc R . .
C50 C 0.8152(6) 0.3952(6) 0.1909(3) 0.064(4) Uani 1 1 d . . .
H50A H 0.8492 0.4225 0.1897 0.097 Uiso 1 1 calc R . .
H50B H 0.8263 0.3587 0.2027 0.097 Uiso 1 1 calc R . .
H50C H 0.7826 0.4154 0.2022 0.097 Uiso 1 1 calc R . .
C51 C 0.4633(11) 0.7207(6) 0.4112(3) 0.110(8) Uani 1 1 d D . .
H51A H 0.4273 0.7077 0.4227 0.132 Uiso 1 1 calc R . .
H51B H 0.4974 0.7077 0.4244 0.132 Uiso 1 1 calc R . .
C52 C 0.5160(7) 0.6446(8) 0.3824(4) 0.093(6) Uani 1 1 d D . .
H52A H 0.5013 0.6031 0.3824 0.140 Uiso 1 1 calc R . .
H52B H 0.5390 0.6518 0.4020 0.140 Uiso 1 1 calc R . .
H52C H 0.5412 0.6508 0.3635 0.140 Uiso 1 1 calc R . .
C53 C 0.4114(7) 0.6514(8) 0.3782(4) 0.089(6) Uani 1 1 d D . .
H53A H 0.3776 0.6786 0.3757 0.134 Uiso 1 1 calc R . .
H53B H 0.4061 0.6266 0.3975 0.134 Uiso 1 1 calc R . .
H53C H 0.4142 0.6253 0.3592 0.134 Uiso 1 1 calc R . .
C54 C 0.5457(9) 0.7500 -0.1690(5) 0.115(11) Uani 1 2 d SU . .
H54A H 0.5499 0.7907 -0.1785 0.138 Uiso 0.50 1 calc PR . .
H54B H 0.5668 0.7216 -0.1833 0.138 Uiso 0.50 1 calc PR . .
C55 C 0.4908(9) 0.736(4) -0.1693(6) 0.115(13) Uani 0.50 1 d PU . .
H55A H 0.4879 0.6923 -0.1733 0.138 Uiso 0.50 1 calc PR . .
H55B H 0.4727 0.7565 -0.1881 0.138 Uiso 0.50 1 calc PR . .
C56 C 0.4167(7) 0.6961(7) -0.1410(4) 0.087(5) Uani 1 1 d . . .
H56A H 0.3965 0.6927 -0.1619 0.130 Uiso 1 1 calc R . .
H56B H 0.3872 0.6993 -0.1238 0.130 Uiso 1 1 calc R . .
H56C H 0.4413 0.6604 -0.1375 0.130 Uiso 1 1 calc R . .
C57 C 0.6160(7) 0.6969(6) -0.1348(4) 0.075(5) Uani 1 1 d . . .
H57A H 0.6391 0.6938 -0.1547 0.112 Uiso 1 1 calc R . .
H57B H 0.5919 0.6605 -0.1321 0.112 Uiso 1 1 calc R . .
H57C H 0.6428 0.7010 -0.1164 0.112 Uiso 1 1 calc R . .
C60 C 0.5399(10) 0.7500 0.2124(5) 0.069(6) Uani 1 2 d S . .
C61 C 0.4882(9) 0.7500 0.2105(5) 0.062(5) Uani 1 2 d S . .
C62 C 0.4267(9) 0.7500 0.2052(4) 0.058(5) Uani 1 2 d S . .
C63 C 0.3746(8) 0.7500 0.2000(4) 0.056(5) Uani 1 2 d S . .
C64 C 0.2565(14) 0.6915(12) 0.2148(8) 0.074(9) Uani 0.50 1 d P . .
H64A H 0.2140 0.6928 0.2104 0.111 Uiso 0.50 1 calc PR . .
H64B H 0.2636 0.7009 0.2375 0.111 Uiso 0.50 1 calc PR . .
H64C H 0.2717 0.6511 0.2100 0.111 Uiso 0.50 1 calc PR . .
C65 C 0.2953(12) 0.7124(13) 0.1462(6) 0.065(8) Uani 0.50 1 d P . .
H65A H 0.2617 0.7279 0.1338 0.098 Uiso 0.50 1 calc PR . .
H65B H 0.2914 0.6687 0.1488 0.098 Uiso 0.50 1 calc PR . .
H65C H 0.3321 0.7215 0.1347 0.098 Uiso 0.50 1 calc PR . .
C66 C 0.2685(12) 0.8216(13) 0.1877(8) 0.070(8) Uani 0.50 1 d P . .
H66A H 0.2320 0.8223 0.1750 0.105 Uiso 0.50 1 calc PR . .
H66B H 0.2974 0.8491 0.1780 0.105 Uiso 0.50 1 calc PR . .
H66C H 0.2601 0.8343 0.2098 0.105 Uiso 0.50 1 calc PR . .
C67 C 0.6524(11) 0.7028(12) 0.2470(6) 0.058(7) Uani 0.50 1 d P . .
H67A H 0.6227 0.6732 0.2537 0.087 Uiso 0.50 1 calc PR . .
H67B H 0.6610 0.7299 0.2651 0.087 Uiso 0.50 1 calc PR . .
H67C H 0.6887 0.6819 0.2406 0.087 Uiso 0.50 1 calc PR . .
C68 C 0.6443(12) 0.8215(11) 0.2067(6) 0.053(6) Uani 0.50 1 d P . .
H68A H 0.6839 0.8224 0.1972 0.079 Uiso 0.50 1 calc PR . .
H68B H 0.6454 0.8405 0.2280 0.079 Uiso 0.50 1 calc PR . .
H68C H 0.6168 0.8436 0.1928 0.079 Uiso 0.50 1 calc PR . .
C69 C 0.6437(15) 0.6974(12) 0.1748(7) 0.073(9) Uani 0.50 1 d P . .
H69A H 0.6079 0.6830 0.1640 0.110 Uiso 0.50 1 calc PR . .
H69B H 0.6660 0.6629 0.1831 0.110 Uiso 0.50 1 calc PR . .
H69C H 0.6681 0.7198 0.1594 0.110 Uiso 0.50 1 calc PR . .
N93 N 0.6313(10) 0.7233(5) 0.3567(3) 0.068(5) Uiso 0.50 1 d PDU . .
O10 O 0.6262(8) 0.7500 0.3311(3) 0.097(5) Uiso 1 2 d SDU . .
O11 O 0.6285(7) 0.7500 0.3830(3) 0.079(4) Uiso 1 2 d SDU . .
O12 O 0.6378(9) 0.6680(4) 0.3550(3) 0.073(5) Uiso 0.50 1 d PDU . .
O81 O 0.7298(5) 0.4316(5) 0.2563(3) 0.091(3) Uiso 1 1 d . . .
O82 O -0.0120(14) 0.3460(16) 0.0479(8) 0.139(11) Uiso 0.50 1 d P . .
O83 O 0.8549(5) 0.5395(5) 0.1801(2) 0.079(3) Uiso 1 1 d . . .
O84 O 0.6765(14) 0.2500 0.2492(7) 0.191(11) Uiso 1 2 d S . .
O85 O 0.6435(7) 0.3603(7) 0.2242(4) 0.137(5) Uiso 1 1 d . . .
N91 N 0.5018(5) 0.4875(8) 0.3075(3) 0.088(6) Uiso 0.754(15) 1 d PD A 2
O1 O 0.4525(4) 0.4748(6) 0.2968(3) 0.069(4) Uiso 0.754(15) 1 d PD A 2
O2 O 0.5469(5) 0.4822(9) 0.2903(4) 0.132(7) Uiso 0.754(15) 1 d PD A 2
O3 O 0.5069(7) 0.5164(7) 0.3329(3) 0.098(5) Uiso 0.754(15) 1 d PD A 2
O1A O 0.6301(8) 0.5586(8) 0.3275(5) 0.095(5) Uiso 0.754(15) 1 d P A 2
O1C O 0.553(2) 0.519(2) 0.3340(11) 0.095(16) Uiso 0.246(15) 1 d P A 22
O1D O 0.6445(11) 0.5671(11) 0.3139(7) 0.019(7) Uiso 0.246(15) 1 d P A 22
N92 N 0.7230(17) 0.2982(6) 0.0761(7) 0.072(14) Uiso 0.251(6) 1 d PD . 3
O4 O 0.7578(10) 0.2988(10) 0.0529(5) 0.033(7) Uiso 0.251(6) 1 d PD . 3
O5 O 0.7123(12) 0.2500 0.0901(6) 0.074(8) Uiso 0.502(12) 2 d SPD . 3
O6 O 0.7062(14) 0.3466(5) 0.0878(7) 0.056(9) Uiso 0.251(6) 1 d PD . 3
O60A O 0.896(4) 0.2500 -0.051(3) 0.15(3) Uiso 0.251(6) 2 d SP . 3
O61A O 0.838(3) 0.2500 0.0096(14) 0.080(17) Uiso 0.251(6) 2 d SP . 3
O62A O 0.8597(16) 0.4346(16) -0.0104(8) 0.154(13) Uiso 0.502(12) 1 d P . 3
O63A O 0.7366(11) 0.4172(12) 0.0265(6) 0.104(8) Uiso 0.502(12) 1 d P . 3
O64A O 0.8675(11) 0.5852(11) 0.0382(6) 0.098(8) Uiso 0.502(12) 1 d P . 3
O60 O 0.900(2) 0.223(2) -0.0270(12) 0.098(15) Uiso 0.249(6) 1 d P . 33
O61 O 0.8465(17) 0.3077(17) 0.0009(9) 0.066(10) Uiso 0.249(6) 1 d P . 33
O62 O 0.9639(17) 0.4432(17) 0.0137(9) 0.166(14) Uiso 0.498(12) 1 d P . 33
O63 O 0.9675(16) 0.5603(16) 0.0411(8) 0.152(12) Uiso 0.498(12) 1 d P . 33
O64 O 0.8085(18) 0.4986(16) 0.0089(9) 0.169(15) Uiso 0.498(12) 1 d P . 33
O65 O 0.8476(15) 0.6847(15) 0.0248(8) 0.152(13) Uiso 0.498(12) 1 d P . 33
O66 O 0.7005(9) 0.3811(10) 0.0783(5) 0.075(6) Uiso 0.498(12) 1 d P . 33
N94 N 0.5078(6) 1.0631(8) 0.0819(4) 0.056(5) Uiso 0.537(15) 1 d PDU B 5
O13 O 0.4865(8) 1.1010(16) 0.1001(9) 0.074(11) Uiso 0.537(15) 1 d PDU B 5
O14 O 0.5620(6) 1.0593(8) 0.0778(4) 0.071(6) Uiso 0.537(15) 1 d PDU B 5
O15 O 0.4746(9) 1.0290(11) 0.0663(6) 0.122(9) Uiso 0.537(15) 1 d PDU B 5
O13C O 0.3737(10) 1.0483(10) 0.0355(6) 0.085(7) Uiso 0.537(15) 1 d P B 5
O14C O 0.6329(10) 1.0326(10) 0.0242(6) 0.085(7) Uiso 0.537(15) 1 d P B 5
N94A N 0.4744(8) 1.0626(11) 0.0790(5) 0.069(7) Uiso 0.463(15) 1 d PDU B 99
O13A O 0.4203(8) 1.0565(10) 0.0751(5) 0.085(8) Uiso 0.463(15) 1 d PDU B 99
O14A O 0.4944(11) 1.098(2) 0.0991(11) 0.082(13) Uiso 0.463(15) 1 d PDU B 99
O15A O 0.5084(10) 1.0367(14) 0.0597(7) 0.120(11) Uiso 0.463(15) 1 d PDU B 99
O13B O 0.3645(12) 1.0326(12) 0.0177(7) 0.088(8) Uiso 0.463(15) 1 d P B 99
O14B O 0.6177(13) 1.0486(13) 0.0420(7) 0.100(9) Uiso 0.463(15) 1 d P B 99
N95 N 0.2594(19) 0.3003(8) 0.0678(9) 0.090(12) Uiso 0.199(10) 1 d PDU . 6
O16 O 0.279(2) 0.3469(5) 0.0805(11) 0.085(14) Uiso 0.199(10) 1 d PDU . 6
O17 O 0.275(2) 0.2500 0.0787(10) 0.092(13) Uiso 0.40(2) 2 d SPDU . 6
O18 O 0.246(3) 0.303(2) 0.0385(10) 0.103(17) Uiso 0.199(10) 1 d PDU . 6
O95 O 0.2605(16) 0.4151(16) 0.0178(8) 0.120(13) Uiso 0.40(2) 1 d P . 6
N95A N 0.2242(17) 0.2500 0.0529(9) 0.125(12) Uiso 0.60(2) 2 d SPDU . 66
O16A O 0.255(2) 0.2500 0.0782(9) 0.157(17) Uiso 0.60(2) 2 d SPDU . 66
O17A O 0.2149(12) 0.3009(8) 0.0401(5) 0.117(9) Uiso 0.60(2) 1 d PDU . 66
O95B O 0.2808(7) 0.3853(7) 0.0673(4) 0.063(5) Uiso 0.60(2) 1 d P . 66
N96 N 0.2928(12) 0.7500 0.3199(5) 0.020(8) Uiso 0.27(2) 2 d SPDU . 7
O19 O 0.290(2) 0.6964(7) 0.3316(6) 0.028(10) Uiso 0.135(11) 1 d PDU . 7
O20 O 0.3228(19) 0.7863(11) 0.3352(6) 0.023(10) Uiso 0.135(11) 1 d PDU . 7
O21 O 0.293(2) 0.7500 0.2896(5) 0.039(13) Uiso 0.27(2) 2 d SPDU . 7
O96A O 0.2839(14) 0.6137(16) 0.2876(9) 0.045(10) Uiso 0.27(2) 1 d P . 7
O96B O 0.2162(12) 0.5513(10) 0.2420(6) 0.015(7) Uiso 0.27(2) 1 d P . 7
N96A N 0.2990(13) 0.7285(7) 0.3170(5) 0.046(6) Uiso 0.332(12) 1 d PDU . 77
O19A O 0.2850(9) 0.6743(6) 0.3180(4) 0.039(6) Uiso 0.332(12) 1 d PDU . 77
O20A O 0.3197(8) 0.7500 0.3419(4) 0.055(6) Uiso 0.66(2) 2 d SPDU . 77
O21A O 0.2798(11) 0.7610(10) 0.2951(4) 0.053(8) Uiso 0.332(12) 1 d PDU . 77
O96C O 0.2831(8) 0.6007(9) 0.2756(5) 0.082(6) Uiso 0.66(2) 1 d P . 77
O96D O 0.1953(9) 0.5498(8) 0.2331(5) 0.082(6) Uiso 0.66(2) 1 d P . 77
O96 O 0.2928(12) 0.7500 0.3199(5) 0.020(8) Uiso 0.065(15) 2 d SP C 777
N97 N 0.8782(13) 0.3830(15) 0.2762(8) 0.130(14) Uiso 0.368(15) 1 d PDU D 8
O22 O 0.9241(13) 0.3543(15) 0.2827(8) 0.106(11) Uiso 0.368(15) 1 d PDU D 8
O23 O 0.8297(13) 0.357(2) 0.2787(14) 0.150(19) Uiso 0.368(15) 1 d PDU D 8
O24 O 0.882(2) 0.4260(17) 0.2570(11) 0.179(17) Uiso 0.368(15) 1 d PDU D 8
O97A O 0.796(2) 0.2500 0.2940(14) 0.119(18) Uiso 0.368(15) 2 d SP D 8
O97B O 1.0368(13) 0.4041(14) 0.2605(7) 0.080(9) Uiso 0.368(15) 1 d P D 8
O97C O 0.8736(15) 0.2500 0.2089(8) 0.058(10) Uiso 0.368(15) 2 d SP D 8
O97D O 0.8201(8) 0.3678(9) 0.2854(5) 0.079(6) Uiso 0.632(15) 1 d P D 88
O97E O 0.9354(11) 0.4059(11) 0.2626(6) 0.123(8) Uiso 0.632(15) 1 d P D 88
O97F O 0.7992(12) 0.2500 0.2600(7) 0.095(9) Uiso 0.632(15) 2 d SP D 88
O97G O 1.050(2) 0.360(3) 0.2749(13) 0.144(18) Uiso 0.316(7) 1 d P D 88
O30 O 0.430(3) 0.2500 0.2930(15) 0.12(2) Uiso 0.35(3) 2 d SP E 9
O31 O 0.6013(17) 0.2500 0.3071(9) 0.064(14) Uiso 0.35(3) 2 d SP E 9
O50 O 0.979(3) 0.2500 0.1003(16) 0.28(3) Uiso 0.74(4) 2 d SP F 9
O30A O 0.466(2) 0.2500 0.2663(13) 0.20(2) Uiso 0.65(3) 2 d SP E 99
O31A O 0.524(3) 0.2500 0.2737(14) 0.22(3) Uiso 0.65(3) 2 d SP E 99
O50A O 0.919(2) 0.2500 0.0853(12) 0.06(2) Uiso 0.26(4) 2 d SP F 99
C80 C 0.4649(9) 0.6165(8) 0.0448(4) 0.064(5) Uani 0.737(11) 1 d PU G 1
H80A H 0.4615 0.5722 0.0468 0.077 Uiso 0.737(11) 1 calc PR G 1
H80B H 0.4248 0.6328 0.0408 0.077 Uiso 0.737(11) 1 calc PR G 1
C81 C 0.5056(18) 0.6320(19) 0.0153(12) 0.069(6) Uani 0.737(11) 1 d PU G 1
H81A H 0.4882 0.6156 -0.0045 0.103 Uiso 0.737(11) 1 calc PR G 1
H81B H 0.5448 0.6142 0.0186 0.103 Uiso 0.737(11) 1 calc PR G 1
H81C H 0.5094 0.6758 0.0133 0.103 Uiso 0.737(11) 1 calc PR G 1
C82 C 0.5615(9) 0.6082(9) 0.0860(6) 0.078(6) Uani 0.737(11) 1 d PU G 1
H82A H 0.5559 0.5655 0.0800 0.094 Uiso 0.737(11) 1 calc PR G 1
H82B H 0.5901 0.6259 0.0706 0.094 Uiso 0.737(11) 1 calc PR G 1
C83 C 0.5884(10) 0.6106(11) 0.1193(6) 0.098(7) Uani 0.737(11) 1 d PU G 1
H83A H 0.6299 0.5980 0.1182 0.148 Uiso 0.737(11) 1 calc PR G 1
H83B H 0.5667 0.5835 0.1337 0.148 Uiso 0.737(11) 1 calc PR G 1
H83C H 0.5861 0.6518 0.1276 0.148 Uiso 0.737(11) 1 calc PR G 1
C84 C 0.4445(8) 0.6150(7) 0.1107(4) 0.055(5) Uani 0.737(11) 1 d PU G 1
H84A H 0.4036 0.6169 0.1023 0.066 Uiso 0.737(11) 1 calc PR G 1
H84B H 0.4547 0.5719 0.1134 0.066 Uiso 0.737(11) 1 calc PR G 1
C85 C 0.4462(8) 0.6461(8) 0.1444(4) 0.058(4) Uani 0.737(11) 1 d PU G 1
H85A H 0.4354 0.6886 0.1422 0.086 Uiso 0.737(11) 1 calc PR G 1
H85B H 0.4862 0.6431 0.1534 0.086 Uiso 0.737(11) 1 calc PR G 1
H85C H 0.4182 0.6261 0.1589 0.086 Uiso 0.737(11) 1 calc PR G 1
C80A C 0.522(3) 0.615(2) 0.0472(13) 0.066(6) Uani 0.263(11) 1 d PU G 2
H80D H 0.5629 0.6302 0.0455 0.079 Uiso 0.263(11) 1 calc PR G 2
H80E H 0.5244 0.5713 0.0510 0.079 Uiso 0.263(11) 1 calc PR G 2
C81A C 0.493(5) 0.624(6) 0.014(3) 0.065(8) Uani 0.263(11) 1 d PU G 2
H81D H 0.5133 0.5977 -0.0014 0.098 Uiso 0.263(11) 1 calc PR G 2
H81E H 0.4971 0.6658 0.0077 0.098 Uiso 0.263(11) 1 calc PR G 2
H81F H 0.4515 0.6128 0.0156 0.098 Uiso 0.263(11) 1 calc PR G 2
C82A C 0.523(3) 0.611(2) 0.1147(13) 0.065(11) Uani 0.263(11) 1 d PU G 2
H82D H 0.5039 0.5717 0.1173 0.078 Uiso 0.263(11) 1 calc PR G 2
H82E H 0.5655 0.6042 0.1101 0.078 Uiso 0.263(11) 1 calc PR G 2
C83A C 0.519(3) 0.645(2) 0.1462(13) 0.068(9) Uani 0.263(11) 1 d PU G 2
H83D H 0.5360 0.6847 0.1439 0.102 Uiso 0.263(11) 1 calc PR G 2
H83E H 0.5400 0.6221 0.1629 0.102 Uiso 0.263(11) 1 calc PR G 2
H83F H 0.4770 0.6483 0.1523 0.102 Uiso 0.263(11) 1 calc PR G 2
C84A C 0.416(2) 0.615(3) 0.0802(12) 0.059(12) Uani 0.263(11) 1 d PU G 2
H84D H 0.3945 0.6349 0.0625 0.070 Uiso 0.263(11) 1 calc PR G 2
H84E H 0.4189 0.5716 0.0752 0.070 Uiso 0.263(11) 1 calc PR G 2
C85A C 0.382(2) 0.623(3) 0.1116(12) 0.064(12) Uani 0.263(11) 1 d PU G 2
H85D H 0.3512 0.6540 0.1085 0.097 Uiso 0.263(11) 1 calc PR G 2
H85E H 0.4086 0.6359 0.1288 0.097 Uiso 0.263(11) 1 calc PR G 2
H85F H 0.3631 0.5849 0.1175 0.097 Uiso 0.263(11) 1 calc PR G 2
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
Cl1 Pt1 Cl2 178.95(17) . .
Cl1 Pt1 P1 88.75(8) . 7_575
Cl2 Pt1 P1 91.26(8) . 7_575
Cl1 Pt1 P1 88.75(8) . .
Cl2 Pt1 P1 91.26(8) . .
P1 Pt1 P1 177.17(16) 7_575 .
N6 Pd1 N7 87.0(3) . .
N6 Pd1 N17 92.6(4) . .
N7 Pd1 N17 178.6(4) . .
N6 Pd1 N18 178.0(4) . .
N7 Pd1 N18 94.9(4) . .
N17 Pd1 N18 85.5(4) . .
N10 Pd2 N20 93.0(5) . .
N10 Pd2 N14 86.7(5) . .
N20 Pd2 N14 179.7(5) . .
N10 Pd2 N19 178.6(5) . .
N20 Pd2 N19 85.6(5) . .
N14 Pd2 N19 94.7(5) . .
N5 Pd3 N15 178.5(4) . .
N5 Pd3 N11 86.2(4) . .
N15 Pd3 N11 94.7(4) . .
N5 Pd3 N16 93.7(4) . .
N15 Pd3 N16 85.3(4) . .
N11 Pd3 N16 178.5(4) . .
N4 Pd4 N4 85.9(5) . 7_575
N4 Pd4 N21 94.0(3) . .
N4 Pd4 N21 178.1(3) 7_575 .
N4 Pd4 N21 178.1(3) . 7_575
N4 Pd4 N21 94.0(3) 7_575 7_575
N21 Pd4 N21 86.0(5) . 7_575
C80A P1 C82A 109(3) . .
C80A P1 C84 130.1(19) . .
C82A P1 C84 62(2) . .
C80A P1 C80 43(2) . .
C82A P1 C80 131.0(19) . .
C84 P1 C80 102.9(9) . .
C80A P1 C82 64(2) . .
C82A P1 C82 49.6(19) . .
C84 P1 C82 106.1(9) . .
C80 P1 C82 102.6(10) . .
C80A P1 C84A 100(3) . .
C82A P1 C84A 103(2) . .
C84 P1 C84A 45.9(15) . .
C80 P1 C84A 60.6(16) . .
C82 P1 C84A 129.4(19) . .
C80A P1 Pt1 114.0(19) . .
C82A P1 Pt1 115.6(18) . .
C84 P1 Pt1 113.6(5) . .
C80 P1 Pt1 113.1(6) . .
C82 P1 Pt1 117.0(7) . .
C84A P1 Pt1 113.2(17) . .
C68 Si1 C68 143.1(19) . 7_575
C68 Si1 C60 107.9(9) . .
C68 Si1 C60 107.9(9) 7_575 .
C68 Si1 C69 115.1(14) . .
C68 Si1 C69 44.4(12) 7_575 .
C60 Si1 C69 106.8(11) . .
C68 Si1 C69 44.4(12) . 7_575
C68 Si1 C69 115.1(14) 7_575 7_575
C60 Si1 C69 106.8(11) . 7_575
C69 Si1 C69 73.8(19) . 7_575
C68 Si1 C67 57.3(12) . 7_575
C68 Si1 C67 117.8(12) 7_575 7_575
C60 Si1 C67 108.3(9) . 7_575
C69 Si1 C67 144.6(12) . 7_575
C69 Si1 C67 100.3(12) 7_575 7_575
C68 Si1 C67 117.8(12) . .
C68 Si1 C67 57.3(12) 7_575 .
C60 Si1 C67 108.3(10) . .
C69 Si1 C67 100.3(12) . .
C69 Si1 C67 144.6(12) 7_575 .
C67 Si1 C67 64.1(16) 7_575 .
C66 Si2 C66 136(2) 7_575 .
C66 Si2 C63 111.1(10) 7_575 .
C66 Si2 C63 111.1(10) . .
C66 Si2 C65 65.5(14) 7_575 .
C66 Si2 C65 113.0(15) . .
C63 Si2 C65 105.2(10) . .
C66 Si2 C65 113.0(15) 7_575 7_575
C66 Si2 C65 65.5(14) . 7_575
C63 Si2 C65 105.2(10) . 7_575
C65 Si2 C65 51.4(18) . 7_575
C66 Si2 C64 116.8(15) 7_575 7_575
C66 Si2 C64 37.5(12) . 7_575
C63 Si2 C64 107.1(11) . 7_575
C65 Si2 C64 143.2(14) . 7_575
C65 Si2 C64 102.6(14) 7_575 7_575
C66 Si2 C64 37.5(12) 7_575 .
C66 Si2 C64 116.8(15) . .
C63 Si2 C64 107.1(11) . .
C65 Si2 C64 102.6(14) . .
C65 Si2 C64 143.2(14) 7_575 .
C64 Si2 C64 84.2(19) 7_575 .
C7 N1 C8 115.6(8) . .
C6 N2 C8 116.7(9) . .
C6 N3 C7 114.7(8) . .
C5 N4 C1 118.1(9) . .
C5 N4 Pd4 121.7(7) . .
C1 N4 Pd4 120.0(7) . .
C11 N5 C12 119.4(9) . .
C11 N5 Pd3 120.1(7) . .
C12 N5 Pd3 120.4(7) . .
C16 N6 C17 117.8(9) . .
C16 N6 Pd1 121.2(7) . .
C17 N6 Pd1 120.5(7) . .
C23 N7 C19 118.6(9) . .
C23 N7 Pd1 122.1(7) . .
C19 N7 Pd1 119.1(7) . .
C24 N8 C24 115.6(13) . 7_575
C24 N9 C25 116.0(10) . .
C28 N10 C28 118.0(13) . 7_575
C28 N10 Pd2 120.8(6) . .
C28 N10 Pd2 120.8(6) 7_575 .
C33 N11 C29 119.3(10) . .
C33 N11 Pd3 119.6(8) . .
C29 N11 Pd3 120.9(8) . .
C34 N12 C35 113.8(11) . .
C34 N13 C34 113.7(13) . 7_575
C38 N14 C38 118.0(13) 7_575 .
C38 N14 Pd2 120.9(7) 7_575 .
C38 N14 Pd2 120.9(7) . .
C39 N15 C44 109.2(12) . .
C39 N15 C43 109.2(10) . .
C44 N15 C43 107.4(12) . .
C39 N15 Pd3 108.3(9) . .
C44 N15 Pd3 108.9(8) . .
C43 N15 Pd3 113.7(8) . .
C41 N16 C42 109.2(12) . .
C41 N16 C40 111.9(10) . .
C42 N16 C40 107.7(10) . .
C41 N16 Pd3 110.1(7) . .
C42 N16 Pd3 113.0(8) . .
C40 N16 Pd3 105.0(9) . .
C49 N17 C50 109.2(11) . .
C49 N17 C46 109.0(10) . .
C50 N17 C46 110.6(10) . .
C49 N17 Pd1 113.2(8) . .
C50 N17 Pd1 109.7(7) . .
C46 N17 Pd1 105.1(8) . .
C47 N18 C48 106.9(10) . .
C47 N18 C45 111.7(10) . .
C48 N18 C45 110.0(10) . .
C47 N18 Pd1 110.0(8) . .
C48 N18 Pd1 112.7(7) . .
C45 N18 Pd1 105.7(8) . .
C56 N19 C56 109.5(17) . 7_575
C56 N19 C55 99(3) . .
C56 N19 C55 120(3) 7_575 .
C56 N19 C55 120(3) . 7_575
C56 N19 C55 99(3) 7_575 7_575
C55 N19 C55 24(6) . 7_575
C56 N19 Pd2 111.6(9) . .
C56 N19 Pd2 111.6(8) 7_575 .
C55 N19 Pd2 104.8(11) . .
C55 N19 Pd2 104.8(11) 7_575 .
C57 N20 C57 106.4(16) 7_575 .
C57 N20 C54 108.9(10) 7_575 7_575
C57 N20 C54 108.9(10) . 7_575
C57 N20 C54 108.9(10) 7_575 .
C57 N20 C54 108.9(10) . .
C54 N20 C54 0.0(15) 7_575 .
C57 N20 Pd2 113.3(8) 7_575 .
C57 N20 Pd2 113.3(8) . .
C54 N20 Pd2 106.1(10) 7_575 .
C54 N20 Pd2 106.1(10) . .
C51 N21 C53 108.8(13) . .
C51 N21 C52 109.3(13) . .
C53 N21 C52 108.1(12) . .
C51 N21 Pd4 105.7(7) . .
C53 N21 Pd4 111.3(7) . .
C52 N21 Pd4 113.6(7) . .
N4 C1 C2 123.0(10) . .
C1 C2 C3 119.6(10) . .
C4 C3 C2 117.3(10) . .
C4 C3 C6 121.4(9) . .
C2 C3 C6 121.3(9) . .
C3 C4 C5 120.6(10) . .
N4 C5 C4 121.3(10) . .
N2 C6 N3 124.5(9) . .
N2 C6 C3 118.0(9) . .
N3 C6 C3 117.5(9) . .
N1 C7 N3 125.1(9) . .
N1 C7 C9 118.3(9) . .
N3 C7 C9 116.6(9) . .
N2 C8 N1 123.4(9) . .
N2 C8 C14 117.5(9) . .
N1 C8 C14 119.1(8) . .
C13 C9 C10 118.0(9) . .
C13 C9 C7 120.5(9) . .
C10 C9 C7 121.4(9) . .
C11 C10 C9 119.8(10) . .
N5 C11 C10 121.6(10) . .
N5 C12 C13 121.9(9) . .
C12 C13 C9 119.2(9) . .
C15 C14 C18 117.5(9) . .
C15 C14 C8 121.6(9) . .
C18 C14 C8 120.8(9) . .
C14 C15 C16 120.9(9) . .
N6 C16 C15 121.6(9) . .
C18 C17 N6 123.4(10) . .
C17 C18 C14 118.8(10) . .
N7 C19 C20 122.7(10) . .
C19 C20 C21 118.5(9) . .
C22 C21 C20 118.8(10) . .
C22 C21 C24 122.0(9) . .
C20 C21 C24 119.1(9) . .
C21 C22 C23 119.3(10) . .
N7 C23 C22 122.0(10) . .
N8 C24 N9 124.9(10) . .
N8 C24 C21 118.5(9) . .
N9 C24 C21 116.6(9) . .
N9 C25 N9 122.5(13) 7_575 .
N9 C25 C26 118.7(7) 7_575 .
N9 C25 C26 118.7(7) . .
C27 C26 C27 115.9(14) . 7_575
C27 C26 C25 122.1(7) . .
C27 C26 C25 122.1(7) 7_575 .
C28 C27 C26 121.1(11) . .
N10 C28 C27 122.0(10) . .
N11 C29 C30 122.0(11) . .
C31 C30 C29 118.4(11) . .
C30 C31 C32 118.8(11) . .
C30 C31 C34 121.0(10) . .
C32 C31 C34 120.2(11) . .
C33 C32 C31 119.2(12) . .
N11 C33 C32 122.3(11) . .
N12 C34 N13 126.6(11) . .
N12 C34 C31 117.4(11) . .
N13 C34 C31 115.9(10) . .
N12 C35 N12 125.4(14) 7_575 .
N12 C35 C36 117.3(7) 7_575 .
N12 C35 C36 117.3(7) . .
C37 C36 C37 116.2(15) 7_575 .
C37 C36 C35 121.9(7) 7_575 .
C37 C36 C35 121.9(7) . .
C38 C37 C36 120.6(12) . .
N14 C38 C37 122.3(11) . .
N15 C39 C40 110.4(11) . .
C39 C40 N16 108.8(11) . .
C46 C45 N18 108.8(10) . .
C45 C46 N17 109.1(10) . .
C51 C51 N21 121.2(6) 7_575 .
C55 C54 N20 117.7(19) . .
C54 C55 N19 119(3) . .
C61 C60 Si1 174(2) . .
C60 C61 C62 175(2) . .
C63 C62 C61 179(2) . .
C62 C63 Si2 174.5(17) . .
N93 N93 O10 61.0(5) 7_575 .
N93 N93 O12 172.4(14) 7_575 .
O10 N93 O12 116.2(9) . .
N93 N93 O11 61.5(5) 7_575 .
O10 N93 O11 121.8(9) . .
O12 N93 O11 121.9(9) . .
N93 O10 N93 58.0(11) . 7_575
N93 O11 N93 56.9(11) 7_575 .
O1 N91 O3 120.6(10) . .
O1 N91 O2 120.6(10) . .
O3 N91 O2 117.4(10) . .
O6 N92 O5 120.2(11) . .
O6 N92 O4 119.3(11) . .
O5 N92 O4 119.7(11) . .
N92 O5 N92 119(2) 7_565 .
O60 O60 O61 112.0(18) 7_565 7_565
O13 N94 O14 121.2(10) . .
O13 N94 O15 119.9(10) . .
O14 N94 O15 118.9(10) . .
O14A N94A O13A 121.5(10) . .
O14A N94A O15A 120.0(10) . .
O13A N94A O15A 118.2(10) . .
O16 N95 O18 117.2(14) . .
O16 N95 O17 119.1(14) . .
O18 N95 O17 117.7(14) . .
N95 O17 N95 126(3) 7_565 .
O16A N95A O17A 116.2(12) . 7_565
O16A N95A O17A 116.2(12) . .
O17A N95A O17A 126(3) 7_565 .
O20 N96 O20 82(3) 7_575 .
O20 N96 O21 120.8(13) 7_575 .
O20 N96 O21 120.8(13) . .
O20 N96 O19 115.8(12) 7_575 7_575
O20 N96 O19 39(3) . 7_575
O21 N96 O19 112.1(10) . 7_575
O20 N96 O19 39(3) 7_575 .
O20 N96 O19 115.8(12) . .
O21 N96 O19 112.1(10) . .
O19 N96 O19 135(2) 7_575 .
O20 O19 N96 66.8(14) 7_575 .
O19 O20 N96 74.1(17) 7_575 .
O19 O20 O20 117(2) 7_575 7_575
N96 O20 O20 49.1(15) . 7_575
N96A N96A O21A 77.0(17) 7_575 7_575
N96A N96A O20A 67.2(7) 7_575 .
O21A N96A O20A 144(2) 7_575 .
N96A N96A O21A 54.5(9) 7_575 .
O21A N96A O21A 22(2) 7_575 .
O20A N96A O21A 121.6(11) . .
N96A N96A O19A 165.1(17) 7_575 .
O21A N96A O19A 98(2) 7_575 .
O20A N96A O19A 116.4(10) . .
O21A N96A O19A 119.7(11) . .
N96A O19A O21A 36.5(7) . 7_575
N96A O20A N96A 45.7(14) . 7_575
O21A O21A N96A 103.1(17) 7_575 7_575
O21A O21A N96A 54.5(9) 7_575 .
N96A O21A N96A 48.6(15) 7_575 .
O21A O21A O19A 146.3(5) 7_575 7_575
N96A O21A O19A 45.5(16) 7_575 7_575
N96A O21A O19A 93.2(11) . 7_575
O23 N97 O22 118.6(13) . .
O23 N97 O24 118.2(13) . .
O22 N97 O24 117.9(13) . .
C81 C80 P1 112.4(18) . .
C83 C82 P1 115.5(16) . .
C85 C84 P1 115.0(13) . .
C81A C80A P1 122(6) . .
C83A C82A P1 117(4) . .
C85A C84A P1 114(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Cl1 2.281(4) .
Pt1 Cl2 2.285(4) .
Pt1 P1 2.298(3) 7_575
Pt1 P1 2.298(3) .
Pd1 N6 2.015(8) .
Pd1 N7 2.051(8) .
Pd1 N17 2.065(10) .
Pd1 N18 2.074(9) .
Pd2 N10 2.027(11) .
Pd2 N20 2.037(12) .
Pd2 N14 2.050(12) .
Pd2 N19 2.073(13) .
Pd3 N5 2.036(8) .
Pd3 N15 2.051(10) .
Pd3 N11 2.056(9) .
Pd3 N16 2.062(10) .
Pd4 N4 2.038(8) .
Pd4 N4 2.038(8) 7_575
Pd4 N21 2.059(8) .
Pd4 N21 2.059(8) 7_575
P1 C80A 1.72(5) .
P1 C82A 1.72(6) .
P1 C84 1.767(16) .
P1 C80 1.779(19) .
P1 C82 1.79(2) .
P1 C84A 1.86(5) .
Si1 C68 1.67(2) .
Si1 C68 1.67(2) 7_575
Si1 C60 1.86(2) .
Si1 C69 1.94(3) .
Si1 C69 1.94(3) 7_575
Si1 C67 1.97(2) 7_575
Si1 C67 1.97(2) .
Si2 C66 1.71(3) 7_575
Si2 C66 1.71(3) .
Si2 C63 1.831(19) .
Si2 C65 1.92(3) .
Si2 C65 1.92(3) 7_575
Si2 C64 1.94(3) 7_575
Si2 C64 1.94(3) .
N1 C7 1.323(12) .
N1 C8 1.347(13) .
N2 C6 1.323(13) .
N2 C8 1.328(13) .
N3 C6 1.335(13) .
N3 C7 1.342(13) .
N4 C5 1.331(13) .
N4 C1 1.343(13) .
N5 C11 1.333(13) .
N5 C12 1.344(13) .
N6 C16 1.343(13) .
N6 C17 1.371(13) .
N7 C23 1.327(13) .
N7 C19 1.348(13) .
N8 C24 1.323(12) .
N8 C24 1.323(12) 7_575
N9 C24 1.327(13) .
N9 C25 1.350(11) .
N10 C28 1.342(12) .
N10 C28 1.342(12) 7_575
N11 C33 1.322(15) .
N11 C29 1.338(14) .
N12 C34 1.326(14) .
N12 C35 1.342(11) .
N13 C34 1.328(13) .
N13 C34 1.328(13) 7_575
N14 C38 1.326(12) 7_575
N14 C38 1.326(12) .
N15 C39 1.449(17) .
N15 C44 1.458(18) .
N15 C43 1.507(17) .
N16 C41 1.463(16) .
N16 C42 1.502(16) .
N16 C40 1.517(16) .
N17 C49 1.483(16) .
N17 C50 1.498(17) .
N17 C46 1.501(15) .
N18 C47 1.482(16) .
N18 C48 1.490(15) .
N18 C45 1.490(16) .
N19 C56 1.464(15) .
N19 C56 1.464(15) 7_575
N19 C55 1.47(3) .
N19 C55 1.47(3) 7_575
N20 C57 1.472(14) 7_575
N20 C57 1.472(14) .
N20 C54 1.52(2) 7_575
N20 C54 1.52(2) .
N21 C51 1.454(13) .
N21 C53 1.463(12) .
N21 C52 1.476(13) .
C1 C2 1.350(15) .
C2 C3 1.382(14) .
C3 C4 1.370(15) .
C3 C6 1.485(14) .
C4 C5 1.374(15) .
C7 C9 1.481(14) .
C8 C14 1.442(14) .
C9 C13 1.388(14) .
C9 C10 1.393(14) .
C10 C11 1.373(15) .
C12 C13 1.379(15) .
C14 C15 1.383(14) .
C14 C18 1.416(14) .
C15 C16 1.394(14) .
C17 C18 1.370(15) .
C19 C20 1.380(15) .
C20 C21 1.392(14) .
C21 C22 1.373(15) .
C21 C24 1.487(15) .
C22 C23 1.397(15) .
C25 N9 1.350(11) 7_575
C25 C26 1.44(2) .
C26 C27 1.385(13) .
C26 C27 1.385(13) 7_575
C27 C28 1.379(15) .
C29 C30 1.387(17) .
C30 C31 1.383(17) .
C31 C32 1.387(16) .
C31 C34 1.498(16) .
C32 C33 1.371(17) .
C35 N12 1.342(11) 7_575
C35 C36 1.50(2) .
C36 C37 1.374(14) 7_575
C36 C37 1.374(14) .
C37 C38 1.328(15) .
C39 C40 1.50(2) .
C45 C46 1.482(18) .
C51 C51 1.30(3) 7_575
C54 C55 1.28(3) .
C60 C61 1.17(3) .
C61 C62 1.41(3) .
C62 C63 1.20(2) .
N93 N93 1.18(2) 7_575
N93 O10 1.222(9) .
N93 O12 1.239(9) .
N93 O11 1.243(8) .
O10 N93 1.222(9) 7_575
O11 N93 1.243(8) 7_575
N91 O1 1.235(8) .
N91 O3 1.236(9) .
N91 O2 1.249(8) .
N92 O6 1.240(9) .
N92 O5 1.242(9) .
N92 O4 1.242(9) .
O5 N92 1.242(9) 7_565
O60 O60 1.21(9) 7_565
O60 O61 1.81(6) 7_565
O61 O60 1.81(6) 7_565
N94 O13 1.229(9) .
N94 O14 1.242(9) .
N94 O15 1.249(9) .
N94A O14A 1.227(9) .
N94A O13A 1.242(9) .
N94A O15A 1.251(9) .
N95 O16 1.245(10) .
N95 O18 1.254(10) .
N95 O17 1.254(10) .
O17 N95 1.254(10) 7_565
N95A O16A 1.255(10) .
N95A O17A 1.265(9) 7_565
N95A O17A 1.265(9) .
N96 O20 1.229(10) 7_575
N96 O20 1.229(10) .
N96 O21 1.258(10) .
N96 O19 1.286(9) 7_575
N96 O19 1.286(9) .
O19 O20 0.84(5) 7_575
O20 O19 0.84(5) 7_575
O20 O20 1.61(5) 7_575
N96A N96A 0.96(3) 7_575
N96A O21A 1.036(17) 7_575
N96A O20A 1.230(9) .
N96A O21A 1.241(9) .
N96A O19A 1.245(9) .
O19A O21A 1.73(4) 7_575
O20A N96A 1.230(9) 7_575
O21A O21A 0.49(4) 7_575
O21A N96A 1.036(17) 7_575
O21A O19A 1.73(4) 7_575
N97 O23 1.245(10) .
N97 O22 1.248(10) .
N97 O24 1.249(10) .
O30A O31A 1.36(7) .
C80 C81 1.57(5) .
C82 C83 1.51(3) .
C84 C85 1.56(2) .
C80A C81A 1.52(15) .
C82A C83A 1.50(7) .
C84A C85A 1.53(6) .
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_4
Cl1 Pt1 P1 C80A 112(2) . .
Cl2 Pt1 P1 C80A -69(2) . .
P1 Pt1 P1 C80A 84(4) 7_575 .
Cl1 Pt1 P1 C82A -121(2) . .
Cl2 Pt1 P1 C82A 58(2) . .
P1 Pt1 P1 C82A -149(4) 7_575 .
Cl1 Pt1 P1 C84 -52.4(7) . .
Cl2 Pt1 P1 C84 126.6(7) . .
P1 Pt1 P1 C84 -80(3) 7_575 .
Cl1 Pt1 P1 C80 64.4(7) . .
Cl2 Pt1 P1 C80 -116.6(7) . .
P1 Pt1 P1 C80 36(3) 7_575 .
Cl1 Pt1 P1 C82 -176.6(8) . .
Cl2 Pt1 P1 C82 2.3(8) . .
P1 Pt1 P1 C82 155(3) 7_575 .
Cl1 Pt1 P1 C84A -2.1(16) . .
Cl2 Pt1 P1 C84A 176.8(16) . .
P1 Pt1 P1 C84A -30(4) 7_575 .
N4 Pd4 N4 C5 90.9(8) 7_575 .
N21 Pd4 N4 C5 -90.9(8) . .
N21 Pd4 N4 C5 179(100) 7_575 .
N4 Pd4 N4 C1 -83.9(8) 7_575 .
N21 Pd4 N4 C1 94.2(8) . .
N21 Pd4 N4 C1 4(11) 7_575 .
N15 Pd3 N5 C11 -39(16) . .
N11 Pd3 N5 C11 90.8(9) . .
N16 Pd3 N5 C11 -87.7(9) . .
N15 Pd3 N5 C12 145(16) . .
N11 Pd3 N5 C12 -85.6(9) . .
N16 Pd3 N5 C12 95.9(9) . .
N7 Pd1 N6 C16 -89.8(8) . .
N17 Pd1 N6 C16 88.8(8) . .
N18 Pd1 N6 C16 106(11) . .
N7 Pd1 N6 C17 82.2(8) . .
N17 Pd1 N6 C17 -99.2(8) . .
N18 Pd1 N6 C17 -82(11) . .
N6 Pd1 N7 C23 -92.0(8) . .
N17 Pd1 N7 C23 -166(14) . .
N18 Pd1 N7 C23 87.4(8) . .
N6 Pd1 N7 C19 82.0(8) . .
N17 Pd1 N7 C19 8(15) . .
N18 Pd1 N7 C19 -98.6(8) . .
N20 Pd2 N10 C28 -93.4(10) . .
N14 Pd2 N10 C28 86.6(10) . .
N19 Pd2 N10 C28 -93.4(10) . .
N20 Pd2 N10 C28 93.4(10) . 7_575
N14 Pd2 N10 C28 -86.6(10) . 7_575
N19 Pd2 N10 C28 93.5(10) . 7_575
N5 Pd3 N11 C33 -91.7(9) . .
N15 Pd3 N11 C33 87.2(9) . .
N16 Pd3 N11 C33 -5(16) . .
N5 Pd3 N11 C29 83.8(9) . .
N15 Pd3 N11 C29 -97.4(9) . .
N16 Pd3 N11 C29 170(35) . .
N10 Pd2 N14 C38 88.1(10) . 7_575
N20 Pd2 N14 C38 88(20) . 7_575
N19 Pd2 N14 C38 -91.9(10) . 7_575
N10 Pd2 N14 C38 -88.1(10) . .
N20 Pd2 N14 C38 -88(20) . .
N19 Pd2 N14 C38 91.9(10) . .
N5 Pd3 N15 C39 -40(16) . .
N11 Pd3 N15 C39 -169.2(9) . .
N16 Pd3 N15 C39 9.3(9) . .
N5 Pd3 N15 C44 -159(15) . .
N11 Pd3 N15 C44 72.2(11) . .
N16 Pd3 N15 C44 -109.3(11) . .
N5 Pd3 N15 C43 82(16) . .
N11 Pd3 N15 C43 -47.6(9) . .
N16 Pd3 N15 C43 130.9(10) . .
N5 Pd3 N16 C41 76.1(8) . .
N15 Pd3 N16 C41 -102.8(9) . .
N11 Pd3 N16 C41 -10(16) . .
N5 Pd3 N16 C42 -46.2(10) . .
N15 Pd3 N16 C42 134.9(10) . .
N11 Pd3 N16 C42 -133(15) . .
N5 Pd3 N16 C40 -163.3(8) . .
N15 Pd3 N16 C40 17.8(8) . .
N11 Pd3 N16 C40 110(16) . .
N6 Pd1 N17 C49 45.4(9) . .
N7 Pd1 N17 C49 119(14) . .
N18 Pd1 N17 C49 -134.0(9) . .
N6 Pd1 N17 C50 -76.9(8) . .
N7 Pd1 N17 C50 -3(15) . .
N18 Pd1 N17 C50 103.7(8) . .
N6 Pd1 N17 C46 164.2(8) . .
N7 Pd1 N17 C46 -122(14) . .
N18 Pd1 N17 C46 -15.2(8) . .
N6 Pd1 N18 C47 90(11) . .
N7 Pd1 N18 C47 -74.4(9) . .
N17 Pd1 N18 C47 107.0(9) . .
N6 Pd1 N18 C48 -151(10) . .
N7 Pd1 N18 C48 44.7(9) . .
N17 Pd1 N18 C48 -133.9(9) . .
N6 Pd1 N18 C45 -31(11) . .
N7 Pd1 N18 C45 164.9(8) . .
N17 Pd1 N18 C45 -13.7(8) . .
N10 Pd2 N19 C56 118.5(10) . .
N20 Pd2 N19 C56 118.5(10) . .
N14 Pd2 N19 C56 -61.5(10) . .
N10 Pd2 N19 C56 -118.5(10) . 7_575
N20 Pd2 N19 C56 -118.5(10) . 7_575
N14 Pd2 N19 C56 61.5(10) . 7_575
N10 Pd2 N19 C55 12(3) . .
N20 Pd2 N19 C55 12(3) . .
N14 Pd2 N19 C55 -168(3) . .
N10 Pd2 N19 C55 -12(3) . 7_575
N20 Pd2 N19 C55 -12(3) . 7_575
N14 Pd2 N19 C55 168(3) . 7_575
N10 Pd2 N20 C57 -60.7(10) . 7_575
N14 Pd2 N20 C57 -61(20) . 7_575
N19 Pd2 N20 C57 119.3(10) . 7_575
N10 Pd2 N20 C57 60.7(10) . .
N14 Pd2 N20 C57 61(20) . .
N19 Pd2 N20 C57 -119.3(10) . .
N10 Pd2 N20 C54 180.000(1) . 7_575
N14 Pd2 N20 C54 180(20) . 7_575
N19 Pd2 N20 C54 0.000(1) . 7_575
N10 Pd2 N20 C54 180.000(1) . .
N14 Pd2 N20 C54 180(20) . .
N19 Pd2 N20 C54 0.000(1) . .
N4 Pd4 N21 C51 179.0(11) . .
N4 Pd4 N21 C51 -93(10) 7_575 .
N21 Pd4 N21 C51 -2.9(12) 7_575 .
N4 Pd4 N21 C53 -63.0(10) . .
N4 Pd4 N21 C53 25(10) 7_575 .
N21 Pd4 N21 C53 115.1(10) 7_575 .
N4 Pd4 N21 C52 59.2(11) . .
N4 Pd4 N21 C52 147(10) 7_575 .
N21 Pd4 N21 C52 -122.7(10) 7_575 .
C5 N4 C1 C2 -0.1(16) . .
Pd4 N4 C1 C2 175.0(9) . .
N4 C1 C2 C3 -0.3(18) . .
C1 C2 C3 C4 1.1(16) . .
C1 C2 C3 C6 -179.2(10) . .
C2 C3 C4 C5 -1.5(16) . .
C6 C3 C4 C5 178.8(10) . .
C1 N4 C5 C4 -0.3(16) . .
Pd4 N4 C5 C4 -175.3(8) . .
C3 C4 C5 N4 1.2(17) . .
C8 N2 C6 N3 -0.6(14) . .
C8 N2 C6 C3 -179.0(8) . .
C7 N3 C6 N2 -0.5(14) . .
C7 N3 C6 C3 177.9(8) . .
C4 C3 C6 N2 -4.5(14) . .
C2 C3 C6 N2 175.7(10) . .
C4 C3 C6 N3 177.0(10) . .
C2 C3 C6 N3 -2.8(14) . .
C8 N1 C7 N3 -1.2(14) . .
C8 N1 C7 C9 178.2(8) . .
C6 N3 C7 N1 1.5(14) . .
C6 N3 C7 C9 -177.9(8) . .
C6 N2 C8 N1 0.9(14) . .
C6 N2 C8 C14 178.6(8) . .
C7 N1 C8 N2 -0.1(14) . .
C7 N1 C8 C14 -177.7(9) . .
N1 C7 C9 C13 -3.1(14) . .
N3 C7 C9 C13 176.3(9) . .
N1 C7 C9 C10 -179.3(9) . .
N3 C7 C9 C10 0.1(14) . .
C13 C9 C10 C11 1.2(16) . .
C7 C9 C10 C11 177.5(10) . .
C12 N5 C11 C10 1.7(16) . .
Pd3 N5 C11 C10 -174.7(8) . .
C9 C10 C11 N5 -1.4(17) . .
C11 N5 C12 C13 -2.0(17) . .
Pd3 N5 C12 C13 174.5(8) . .
N5 C12 C13 C9 1.8(17) . .
C10 C9 C13 C12 -1.4(15) . .
C7 C9 C13 C12 -177.7(10) . .
N2 C8 C14 C15 1.6(14) . .
N1 C8 C14 C15 179.4(9) . .
N2 C8 C14 C18 -174.3(9) . .
N1 C8 C14 C18 3.4(14) . .
C18 C14 C15 C16 0.0(14) . .
C8 C14 C15 C16 -176.1(9) . .
C17 N6 C16 C15 0.9(15) . .
Pd1 N6 C16 C15 173.1(7) . .
C14 C15 C16 N6 0.1(15) . .
C16 N6 C17 C18 -2.0(16) . .
Pd1 N6 C17 C18 -174.2(9) . .
N6 C17 C18 C14 2.0(17) . .
C15 C14 C18 C17 -1.0(15) . .
C8 C14 C18 C17 175.2(10) . .
C23 N7 C19 C20 -0.6(15) . .
Pd1 N7 C19 C20 -174.7(8) . .
N7 C19 C20 C21 -1.9(16) . .
C19 C20 C21 C22 3.5(15) . .
C19 C20 C21 C24 -179.5(9) . .
C20 C21 C22 C23 -2.8(16) . .
C24 C21 C22 C23 -179.7(10) . .
C19 N7 C23 C22 1.4(15) . .
Pd1 N7 C23 C22 175.4(8) . .
C21 C22 C23 N7 0.3(17) . .
C24 N8 C24 N9 2.8(19) 7_575 .
C24 N8 C24 C21 -176.8(7) 7_575 .
C25 N9 C24 N8 -1.1(16) . .
C25 N9 C24 C21 178.5(10) . .
C22 C21 C24 N8 -176.9(11) . .
C20 C21 C24 N8 6.2(15) . .
C22 C21 C24 N9 3.5(15) . .
C20 C21 C24 N9 -173.3(9) . .
C24 N9 C25 N9 -0.7(19) . 7_575
C24 N9 C25 C26 -177.0(11) . .
N9 C25 C26 C27 -178.6(12) 7_575 .
N9 C25 C26 C27 -2(2) . .
N9 C25 C26 C27 2(2) 7_575 7_575
N9 C25 C26 C27 178.6(12) . 7_575
C27 C26 C27 C28 -1(2) 7_575 .
C25 C26 C27 C28 179.4(12) . .
C28 N10 C28 C27 1(2) 7_575 .
Pd2 N10 C28 C27 -171.9(8) . .
C26 C27 C28 N10 0.0(18) . .
C33 N11 C29 C30 0.4(17) . .
Pd3 N11 C29 C30 -175.1(9) . .
N11 C29 C30 C31 0.3(17) . .
C29 C30 C31 C32 -1.5(17) . .
C29 C30 C31 C34 179.3(10) . .
C30 C31 C32 C33 2.0(18) . .
C34 C31 C32 C33 -178.8(11) . .
C29 N11 C33 C32 0.2(19) . .
Pd3 N11 C33 C32 175.7(10) . .
C31 C32 C33 N11 -1(2) . .
C35 N12 C34 N13 0.4(17) . .
C35 N12 C34 C31 -176.8(10) . .
C34 N13 C34 N12 -1(2) 7_575 .
C34 N13 C34 C31 176.5(7) 7_575 .
C30 C31 C34 N12 1.2(15) . .
C32 C31 C34 N12 -178.0(10) . .
C30 C31 C34 N13 -176.3(11) . .
C32 C31 C34 N13 4.5(16) . .
C34 N12 C35 N12 0(2) . 7_575
C34 N12 C35 C36 177.5(11) . .
N12 C35 C36 C37 -2(2) 7_575 7_575
N12 C35 C36 C37 179.9(12) . 7_575
N12 C35 C36 C37 -179.9(12) 7_575 .
N12 C35 C36 C37 2(2) . .
C37 C36 C37 C38 2(2) 7_575 .
C35 C36 C37 C38 179.9(12) . .
C38 N14 C38 C37 -2(2) 7_575 .
Pd2 N14 C38 C37 174.1(9) . .
C36 C37 C38 N14 0.0(19) . .
C44 N15 C39 C40 82.7(15) . .
C43 N15 C39 C40 -160.0(12) . .
Pd3 N15 C39 C40 -35.8(14) . .
N15 C39 C40 N16 53.1(17) . .
C41 N16 C40 C39 77.7(15) . .
C42 N16 C40 C39 -162.3(13) . .
Pd3 N16 C40 C39 -41.7(13) . .
C47 N18 C45 C46 -78.4(13) . .
C48 N18 C45 C46 163.0(11) . .
Pd1 N18 C45 C46 41.1(12) . .
N18 C45 C46 N17 -57.6(15) . .
C49 N17 C46 C45 164.1(12) . .
C50 N17 C46 C45 -75.8(14) . .
Pd1 N17 C46 C45 42.5(13) . .
C53 N21 C51 C51 -117.2(9) . 7_575
C52 N21 C51 C51 125.1(9) . 7_575
Pd4 N21 C51 C51 2.5(10) . 7_575
C57 N20 C54 C55 -138(4) 7_575 .
C57 N20 C54 C55 106(4) . .
C54 N20 C54 C55 0(100) 7_575 .
Pd2 N20 C54 C55 -16(4) . .
N20 C54 C55 N19 30(7) . .
C56 N19 C55 C54 -142(5) . .
C56 N19 C55 C54 99(5) 7_575 .
C55 N19 C55 C54 66(6) 7_575 .
Pd2 N19 C55 C54 -27(6) . .
C68 Si1 C60 C61 85.4(10) . .
C68 Si1 C60 C61 -85.4(10) 7_575 .
C69 Si1 C60 C61 -38.8(10) . .
C69 Si1 C60 C61 38.8(10) 7_575 .
C67 Si1 C60 C61 146.0(9) 7_575 .
C67 Si1 C60 C61 -146.0(9) . .
Si1 C60 C61 C62 0.00(4) . .
C60 C61 C62 C63 0.00(14) . .
C61 C62 C63 Si2 0.00(14) . .
C66 Si2 C63 C62 95.9(12) 7_575 .
C66 Si2 C63 C62 -95.9(12) . .
C65 Si2 C63 C62 26.7(9) . .
C65 Si2 C63 C62 -26.7(9) 7_575 .
C64 Si2 C63 C62 -135.4(10) 7_575 .
C64 Si2 C63 C62 135.4(10) . .
O12 N93 O10 N93 -172.1(16) . 7_575
O11 N93 O10 N93 10(3) . 7_575
O10 N93 O11 N93 -10(3) . 7_575
O12 N93 O11 N93 172.2(18) . 7_575
O6 N92 O5 N92 171(2) . 7_565
O4 N92 O5 N92 -19(8) . 7_565
O16 N95 O17 N95 -178(5) . 7_565
O18 N95 O17 N95 -26(8) . 7_565
O20 N96 O19 O20 -32(3) . 7_575
O21 N96 O19 O20 112(2) . 7_575
O19 N96 O19 O20 -74(6) 7_575 7_575
O20 N96 O20 O19 -151(3) 7_575 7_575
O21 N96 O20 O19 88(3) . 7_575
O19 N96 O20 O19 -131(4) . 7_575
O21 N96 O20 O20 -121(3) . 7_575
O19 N96 O20 O20 151(3) 7_575 7_575
O19 N96 O20 O20 20(2) . 7_575
N96A N96A O19A O21A 69(3) 7_575 7_575
O20A N96A O19A O21A 170(5) . 7_575
O21A N96A O19A O21A 6.3(9) . 7_575
O21A N96A O20A N96A -2(6) 7_575 7_575
O21A N96A O20A N96A -1(4) . 7_575
O19A N96A O20A N96A -164(2) . 7_575
N96A N96A O21A O21A 180.00(4) 7_575 7_575
O20A N96A O21A O21A -179(4) . 7_575
O19A N96A O21A O21A -16.4(18) . 7_575
O21A N96A O21A N96A 180.00(2) 7_575 7_575
O20A N96A O21A N96A 1(4) . 7_575
O19A N96A O21A N96A 163.6(18) . 7_575
N96A N96A O21A O19A -10.2(12) 7_575 7_575
O21A N96A O21A O19A 169.8(12) 7_575 7_575
O20A N96A O21A O19A -9(3) . 7_575
O19A N96A O21A O19A 153(3) . 7_575
C80A P1 C80 C81 -37(3) . .
C82A P1 C80 C81 -110(3) . .
C84 P1 C80 C81 -173(2) . .
C82 P1 C80 C81 -63(2) . .
C84A P1 C80 C81 169(3) . .
Pt1 P1 C80 C81 64(2) . .
C80A P1 C82 C83 177(3) . .
C82A P1 C82 C83 -30(3) . .
C84 P1 C82 C83 -56.1(19) . .
C80 P1 C82 C83 -163.7(16) . .
C84A P1 C82 C83 -102(3) . .
Pt1 P1 C82 C83 71.9(17) . .
C80A P1 C84 C85 157(3) . .
C82A P1 C84 C85 66(2) . .
C80 P1 C84 C85 -164.1(14) . .
C82 P1 C84 C85 88.6(15) . .
C84A P1 C84 C85 -142(3) . .
Pt1 P1 C84 C85 -41.4(15) . .
C82A P1 C80A C81A 164(6) . .
C84 P1 C80A C81A 95(6) . .
C80 P1 C80A C81A 33(5) . .
C82 P1 C80A C81A -175(7) . .
C84A P1 C80A C81A 56(7) . .
Pt1 P1 C80A C81A -66(6) . .
C80A P1 C82A C83A 161(4) . .
C84 P1 C82A C83A -73(4) . .
C80 P1 C82A C83A -155(3) . .
C82 P1 C82A C83A 136(5) . .
C84A P1 C82A C83A -93(5) . .
Pt1 P1 C82A C83A 31(5) . .
C80A P1 C84A C85A 167(4) . .
C82A P1 C84A C85A 55(4) . .
C84 P1 C84A C85A 30(3) . .
C80 P1 C84A C85A -175(5) . .
C82 P1 C84A C85A 103(4) . .
Pt1 P1 C84A C85A -71(4) . .
