#------------------------------------------------------------------------------
#$Date: 2016-12-19 15:43:47 +0200 (Mon, 19 Dec 2016) $
#$Revision: 189241 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/50/7005051.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_7005051
loop_
_publ_author_name
'van Duren, Ruben'
'van der Vlugt, Jarl Ivar'
'Kooijman, Huub'
'Spek, Anthony L.'
'Vogt, Dieter'
_publ_section_title
;
 Platinum-catalyzed hydroformylation of terminal and internal octenes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1053
_journal_page_last               1059
_journal_paper_doi               10.1039/b615428j
_journal_year                    2007
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C38 H32 Cl2 O P2 Pt Si, C2 H3 N'
_chemical_formula_sum            'C40 H35 Cl2 N O P2 Pt Si'
_chemical_formula_weight         901.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 105.376(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.2417(10)
_cell_length_b                   18.0033(12)
_cell_length_c                   21.9848(14)
_cell_measurement_reflns_used    126724
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     7343.2(9)
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'omega & phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0944
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            170888
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.10
_exptl_absorpt_coefficient_mu    4.120
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_correction_T_min  0.311
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3568
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.691
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     871
_refine_ls_number_reflns         16837
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0366P)²+8.4060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0719
_reflns_number_gt                14453
_reflns_number_total             16837
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b615428j.txt
_cod_data_source_block           s2922a
_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        7343.3(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C40 H35 CL2 N O P2 Pt SI'
_cod_database_code               7005051
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt Uani -0.06744(1) -0.01882(1) 0.22286(1) 1.000 0.0175(1) . .
Cl1 Cl Uani -0.16981(4) -0.07487(5) 0.24323(4) 1.000 0.0261(2) . .
Cl2 Cl Uani -0.09547(5) -0.08562(5) 0.12785(4) 1.000 0.0335(3) . .
P1 P Uani -0.03615(4) 0.01237(4) 0.32598(4) 1.000 0.0175(2) . .
P2 P Uani 0.03073(5) 0.02271(4) 0.19632(4) 1.000 0.0189(2) . .
Si13 Si Uani 0.16237(5) -0.21098(5) 0.34596(4) 1.000 0.0202(2) . .
O1 O Uani 0.08449(12) -0.06630(12) 0.30906(10) 1.000 0.0191(6) . .
C1 C Uani -0.00549(17) -0.07682(17) 0.36294(14) 1.000 0.0187(9) . .
C2 C Uani -0.03948(18) -0.11621(18) 0.40169(15) 1.000 0.0229(10) . .
C3 C Uani -0.01425(19) -0.18614(19) 0.42374(16) 1.000 0.0258(10) . .
C4 C Uani 0.04484(18) -0.21681(18) 0.40825(15) 1.000 0.0240(10) . .
C5 C Uani 0.08039(17) -0.17944(18) 0.36913(15) 1.000 0.0202(9) . .
C6 C Uani 0.05290(17) -0.11013(17) 0.34690(14) 1.000 0.0186(9) . .
C7 C Uani 0.09121(17) -0.05671(18) 0.20391(15) 1.000 0.0203(9) . .
C8 C Uani 0.10741(17) -0.09791(18) 0.25953(14) 1.000 0.0191(9) . .
C9 C Uani 0.14618(18) -0.16468(18) 0.26741(16) 1.000 0.0226(10) . .
C10 C Uani 0.16936(19) -0.1897(2) 0.21584(17) 1.000 0.0291(11) . .
C11 C Uani 0.1556(2) -0.1499(2) 0.16022(16) 1.000 0.0307(11) . .
C12 C Uani 0.1166(2) -0.0842(2) 0.15386(16) 1.000 0.0278(11) . .
C14 C Uani 0.2414(2) -0.1646(2) 0.39981(18) 1.000 0.0336(12) . .
C15 C Uani 0.1701(2) -0.31342(19) 0.34129(17) 1.000 0.0284(11) . .
C16 C Uani 0.03372(18) 0.07820(18) 0.36702(15) 1.000 0.0224(10) . .
C17 C Uani 0.0921(2) 0.0560(2) 0.41568(16) 1.000 0.0292(11) . .
C18 C Uani 0.1351(2) 0.1082(3) 0.45451(19) 1.000 0.0430(16) . .
C19 C Uani 0.1209(3) 0.1827(3) 0.4445(2) 1.000 0.0495(16) . .
C20 C Uani 0.0640(3) 0.2058(2) 0.3951(2) 1.000 0.0437(15) . .
C21 C Uani 0.0201(2) 0.15374(19) 0.35671(18) 1.000 0.0307(11) . .
C22 C Uani -0.10675(17) 0.04882(17) 0.35886(15) 1.000 0.0194(9) . .
C23 C Uani -0.09421(18) 0.05579(19) 0.42433(15) 1.000 0.0242(10) . .
C24 C Uani -0.1407(2) 0.0968(2) 0.44947(17) 1.000 0.0296(11) . .
C25 C Uani -0.19983(19) 0.1322(2) 0.40951(17) 1.000 0.0285(11) . .
C26 C Uani -0.21277(18) 0.12494(19) 0.34483(17) 1.000 0.0255(10) . .
C27 C Uani -0.16650(18) 0.08282(18) 0.31944(16) 1.000 0.0230(10) . .
C28 C Uani 0.08483(18) 0.09937(18) 0.23803(15) 1.000 0.0218(9) . .
C29 C Uani 0.15260(19) 0.0908(2) 0.27949(16) 1.000 0.0279(11) . .
C30 C Uani 0.1938(2) 0.1525(2) 0.30276(19) 1.000 0.0371(12) . .
C31 C Uani 0.1672(2) 0.2238(2) 0.28537(18) 1.000 0.0369(12) . .
C32 C Uani 0.0991(2) 0.2326(2) 0.24584(17) 1.000 0.0337(11) . .
C33 C Uani 0.0586(2) 0.17136(18) 0.22200(17) 1.000 0.0274(11) . .
C34 C Uani 0.01656(18) 0.05813(18) 0.11599(15) 1.000 0.0221(9) . .
C35 C Uani -0.05229(19) 0.06846(18) 0.07604(16) 1.000 0.0250(10) . .
C36 C Uani -0.0602(2) 0.0994(2) 0.01644(16) 1.000 0.0315(11) . .
C37 C Uani 0.0000(2) 0.1193(2) -0.00331(17) 1.000 0.0351(13) . .
C38 C Uani 0.0681(2) 0.1097(2) 0.03632(18) 1.000 0.0348(12) . .
C39 C Uani 0.0768(2) 0.0804(2) 0.09609(17) 1.000 0.0299(11) . .
Pt2 Pt Uani 0.57814(1) 0.16234(1) 0.25879(1) 1.000 0.0168(1) . .
Cl3 Cl Uani 0.63773(4) 0.23339(4) 0.34643(4) 1.000 0.0247(2) . .
Cl4 Cl Uani 0.64861(4) 0.22335(5) 0.20132(4) 1.000 0.0265(2) . .
P3 P Uani 0.50650(4) 0.12512(4) 0.31872(4) 1.000 0.0178(2) . .
P4 P Uani 0.51787(4) 0.11588(4) 0.16512(4) 1.000 0.0178(2) . .
Si52 Si Uani 0.31578(5) 0.33005(5) 0.17646(5) 1.000 0.0260(3) . .
O2 O Uani 0.41115(12) 0.19353(12) 0.20924(10) 1.000 0.0198(7) . .
C40 C Uani 0.45134(17) 0.20726(17) 0.32001(15) 1.000 0.0199(9) . .
C41 C Uani 0.45443(19) 0.24938(19) 0.37478(16) 1.000 0.0261(10) . .
C42 C Uani 0.4150(2) 0.3146(2) 0.37053(18) 1.000 0.0314(11) . .
C43 C Uani 0.3713(2) 0.33861(19) 0.31332(18) 1.000 0.0287(11) . .
C44 C Uani 0.36719(18) 0.29969(18) 0.25735(16) 1.000 0.0239(10) . .
C45 C Uani 0.40921(17) 0.23558(18) 0.26252(15) 1.000 0.0206(9) . .
C46 C Uani 0.46683(18) 0.19536(18) 0.12550(15) 1.000 0.0221(9) . .
C47 C Uani 0.41841(18) 0.22956(18) 0.15465(15) 1.000 0.0210(9) . .
C48 C Uani 0.37843(18) 0.29280(18) 0.13162(16) 1.000 0.0249(10) . .
C49 C Uani 0.3878(2) 0.3221(2) 0.07567(18) 1.000 0.0313(11) . .
C50 C Uani 0.4349(2) 0.2903(2) 0.04523(18) 1.000 0.0371(12) . .
C51 C Uani 0.47465(19) 0.2276(2) 0.07009(16) 1.000 0.0278(11) . .
C53 C Uani 0.2266(2) 0.2848(2) 0.14874(19) 1.000 0.0373(12) . .
C54 C Uani 0.3089(2) 0.4330(2) 0.1710(2) 1.000 0.0425(16) . .
C55 C Uani 0.44419(17) 0.04646(18) 0.30363(14) 1.000 0.0197(9) . .
C56 C Uani 0.37023(19) 0.0541(2) 0.27902(16) 1.000 0.0265(10) . .
C57 C Uani 0.3254(2) -0.0079(2) 0.27278(18) 1.000 0.0314(11) . .
C58 C Uani 0.3541(2) -0.0771(2) 0.29174(17) 1.000 0.0300(11) . .
C59 C Uani 0.4279(2) -0.08540(19) 0.31698(17) 1.000 0.0290(11) . .
C60 C Uani 0.47265(19) -0.02413(19) 0.32246(16) 1.000 0.0254(10) . .
C61 C Uani 0.55441(18) 0.10137(18) 0.39996(15) 1.000 0.0224(10) . .
C62 C Uani 0.62601(19) 0.07945(18) 0.41472(16) 1.000 0.0246(10) . .
C63 C Uani 0.6600(2) 0.0528(2) 0.47463(18) 1.000 0.0333(11) . .
C64 C Uani 0.6223(2) 0.0498(2) 0.52051(17) 1.000 0.0365(11) . .
C65 C Uani 0.5512(2) 0.0716(2) 0.50650(17) 1.000 0.0364(11) . .
C66 C Uani 0.5162(2) 0.09519(19) 0.44578(16) 1.000 0.0270(11) . .
C67 C Uani 0.45160(17) 0.04195(18) 0.15386(14) 1.000 0.0196(9) . .
C68 C Uani 0.4763(2) -0.02933(19) 0.17280(16) 1.000 0.0266(11) . .
C69 C Uani 0.4283(2) -0.0886(2) 0.16289(17) 1.000 0.0316(11) . .
C70 C Uani 0.3559(2) -0.0769(2) 0.13383(17) 1.000 0.0307(11) . .
C71 C Uani 0.3312(2) -0.0062(2) 0.11420(17) 1.000 0.0292(11) . .
C72 C Uani 0.37896(18) 0.0532(2) 0.12430(16) 1.000 0.0250(10) . .
C73 C Uani 0.57640(18) 0.07940(17) 0.11900(15) 1.000 0.0207(9) . .
C74 C Uani 0.5507(2) 0.0674(2) 0.05427(16) 1.000 0.0281(11) . .
C75 C Uani 0.5956(2) 0.0367(2) 0.02042(17) 1.000 0.0322(11) . .
C76 C Uani 0.6654(2) 0.0157(2) 0.05173(19) 1.000 0.0335(12) . .
C77 C Uani 0.6902(2) 0.02439(19) 0.11622(18) 1.000 0.0303(11) . .
C78 C Uani 0.64627(19) 0.05685(19) 0.14987(17) 1.000 0.0261(10) . .
N81 N Uani 0.2303(2) 0.8203(3) 0.0134(2) 1.000 0.0655(19) . .
C82 C Uani 0.2858(2) 0.8049(3) 0.00821(19) 1.000 0.0421(16) . .
C83 C Uani 0.3565(2) 0.7848(3) 0.0010(2) 1.000 0.0444(14) . .
N84 N Uani 0.2458(3) 0.3492(3) 0.5386(2) 1.000 0.0761(19) . .
C85 C Uani 0.2525(2) 0.3358(3) 0.4911(3) 1.000 0.0508(17) . .
C86 C Uani 0.2593(3) 0.3180(3) 0.4289(3) 1.000 0.070(2) . .
H2 H Uiso -0.07970 -0.09530 0.41290 1.000 0.0280 calc R
H3 H Uiso -0.03770 -0.21320 0.44970 1.000 0.0310 calc R
H4 H Uiso 0.06170 -0.26430 0.42450 1.000 0.0290 calc R
H10 H Uiso 0.19520 -0.23520 0.21920 1.000 0.0350 calc R
H11 H Uiso 0.17280 -0.16760 0.12620 1.000 0.0370 calc R
H12 H Uiso 0.10700 -0.05740 0.11530 1.000 0.0330 calc R
H14A H Uiso 0.23670 -0.11070 0.39430 1.000 0.0500 calc R
H14B H Uiso 0.28560 -0.18140 0.39000 1.000 0.0500 calc R
H14C H Uiso 0.24340 -0.17740 0.44360 1.000 0.0500 calc R
H15A H Uiso 0.17080 -0.33550 0.38220 1.000 0.0430 calc R
H15B H Uiso 0.21490 -0.32610 0.33030 1.000 0.0430 calc R
H15C H Uiso 0.12890 -0.33280 0.30890 1.000 0.0430 calc R
H17 H Uiso 0.10260 0.00470 0.42240 1.000 0.0350 calc R
H18 H Uiso 0.17450 0.09250 0.48810 1.000 0.0520 calc R
H19 H Uiso 0.15000 0.21840 0.47150 1.000 0.0590 calc R
H20 H Uiso 0.05510 0.25730 0.38750 1.000 0.0520 calc R
H21 H Uiso -0.01930 0.16970 0.32330 1.000 0.0370 calc R
H23 H Uiso -0.05360 0.03220 0.45160 1.000 0.0290 calc R
H24 H Uiso -0.13230 0.10080 0.49390 1.000 0.0360 calc R
H25 H Uiso -0.23120 0.16130 0.42670 1.000 0.0340 calc R
H26 H Uiso -0.25330 0.14870 0.31760 1.000 0.0310 calc R
H27 H Uiso -0.17600 0.07740 0.27500 1.000 0.0280 calc R
H29 H Uiso 0.17070 0.04250 0.29190 1.000 0.0330 calc R
H30 H Uiso 0.24050 0.14650 0.33070 1.000 0.0450 calc R
H31 H Uiso 0.19610 0.26610 0.30080 1.000 0.0440 calc R
H32 H Uiso 0.08020 0.28100 0.23510 1.000 0.0410 calc R
H33 H Uiso 0.01200 0.17780 0.19410 1.000 0.0330 calc R
H35 H Uiso -0.09360 0.05450 0.08930 1.000 0.0300 calc R
H36 H Uiso -0.10700 0.10680 -0.01080 1.000 0.0380 calc R
H37 H Uiso -0.00580 0.13950 -0.04430 1.000 0.0420 calc R
H38 H Uiso 0.10920 0.12340 0.02260 1.000 0.0410 calc R
H39 H Uiso 0.12370 0.07530 0.12370 1.000 0.0350 calc R
H41 H Uiso 0.48350 0.23310 0.41450 1.000 0.0310 calc R
H42 H Uiso 0.41810 0.34330 0.40740 1.000 0.0380 calc R
H43 H Uiso 0.34340 0.38240 0.31200 1.000 0.0350 calc R
H49 H Uiso 0.36130 0.36500 0.05800 1.000 0.0380 calc R
H50 H Uiso 0.44010 0.31140 0.00710 1.000 0.0450 calc R
H51 H Uiso 0.50730 0.20660 0.04920 1.000 0.0330 calc R
H53A H Uiso 0.19400 0.30450 0.17240 1.000 0.0560 calc R
H53B H Uiso 0.23200 0.23100 0.15550 1.000 0.0560 calc R
H53C H Uiso 0.20650 0.29480 0.10370 1.000 0.0560 calc R
H54A H Uiso 0.27690 0.45070 0.19580 1.000 0.0630 calc R
H54B H Uiso 0.28940 0.44760 0.12680 1.000 0.0630 calc R
H54C H Uiso 0.35690 0.45490 0.18740 1.000 0.0630 calc R
H56 H Uiso 0.35010 0.10170 0.26640 1.000 0.0320 calc R
H57 H Uiso 0.27490 -0.00260 0.25540 1.000 0.0380 calc R
H58 H Uiso 0.32320 -0.11910 0.28750 1.000 0.0360 calc R
H59 H Uiso 0.44750 -0.13290 0.33040 1.000 0.0350 calc R
H60 H Uiso 0.52320 -0.03000 0.33920 1.000 0.0300 calc R
H62 H Uiso 0.65210 0.08270 0.38370 1.000 0.0300 calc R
H63 H Uiso 0.70880 0.03680 0.48420 1.000 0.0400 calc R
H64 H Uiso 0.64570 0.03260 0.56170 1.000 0.0440 calc R
H65 H Uiso 0.52600 0.07050 0.53830 1.000 0.0430 calc R
H66 H Uiso 0.46640 0.10710 0.43540 1.000 0.0330 calc R
H68 H Uiso 0.52590 -0.03740 0.19250 1.000 0.0320 calc R
H69 H Uiso 0.44520 -0.13710 0.17600 1.000 0.0380 calc R
H70 H Uiso 0.32310 -0.11740 0.12740 1.000 0.0370 calc R
H71 H Uiso 0.28170 0.00160 0.09390 1.000 0.0350 calc R
H72 H Uiso 0.36200 0.10160 0.11100 1.000 0.0300 calc R
H74 H Uiso 0.50250 0.08010 0.03310 1.000 0.0340 calc R
H75 H Uiso 0.57840 0.03010 -0.02390 1.000 0.0390 calc R
H76 H Uiso 0.69620 -0.00470 0.02860 1.000 0.0400 calc R
H77 H Uiso 0.73730 0.00820 0.13770 1.000 0.0360 calc R
H78 H Uiso 0.66390 0.06370 0.19410 1.000 0.0310 calc R
H83A H Uiso 0.36540 0.73200 0.01060 1.000 0.0660 calc R
H83B H Uiso 0.39350 0.81450 0.03000 1.000 0.0660 calc R
H83C H Uiso 0.35800 0.79450 -0.04250 1.000 0.0660 calc R
H86A H Uiso 0.21400 0.29640 0.40370 1.000 0.1050 calc R
H86B H Uiso 0.29850 0.28210 0.43240 1.000 0.1050 calc R
H86C H Uiso 0.27000 0.36330 0.40840 1.000 0.1050 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Si Si 0.0817 0.0704 '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'
P P 0.1023 0.0942 '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'
N N 0.0061 0.0033 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pt1 Cl2 86.75(3) . . . yes
Cl1 Pt1 P1 85.96(3) . . . yes
Cl1 Pt1 P2 173.18(3) . . . yes
Cl2 Pt1 P1 163.56(3) . . . yes
Cl2 Pt1 P2 87.13(3) . . . yes
P1 Pt1 P2 99.17(3) . . . yes
Cl4 Pt2 P3 169.55(3) . . . yes
Cl4 Pt2 P4 84.97(3) . . . yes
P3 Pt2 P4 100.32(3) . . . yes
Cl3 Pt2 P3 85.59(3) . . . yes
Cl3 Pt2 P4 168.74(3) . . . yes
Cl3 Pt2 Cl4 87.75(3) . . . yes
C1 P1 C16 103.92(15) . . . yes
C1 P1 C22 109.10(15) . . . yes
Pt1 P1 C1 101.36(10) . . . yes
Pt1 P1 C16 128.22(11) . . . yes
Pt1 P1 C22 117.38(11) . . . yes
C16 P1 C22 95.64(15) . . . yes
C28 P2 C34 98.10(15) . . . yes
Pt1 P2 C7 105.98(11) . . . yes
Pt1 P2 C28 121.89(12) . . . yes
Pt1 P2 C34 116.51(12) . . . yes
C7 P2 C28 106.39(16) . . . yes
C7 P2 C34 106.86(15) . . . yes
Pt2 P3 C40 102.55(11) . . . yes
Pt2 P3 C55 126.83(11) . . . yes
Pt2 P3 C61 114.42(12) . . . yes
C40 P3 C55 105.93(15) . . . yes
C40 P3 C61 108.58(15) . . . yes
C55 P3 C61 97.62(15) . . . yes
Pt2 P4 C46 103.20(11) . . . yes
Pt2 P4 C67 124.97(10) . . . yes
Pt2 P4 C73 113.55(11) . . . yes
C46 P4 C67 103.93(15) . . . yes
C46 P4 C73 110.54(15) . . . yes
C67 P4 C73 100.08(15) . . . yes
C5 Si13 C9 99.81(15) . . . yes
C5 Si13 C14 107.27(16) . . . yes
C5 Si13 C15 113.75(17) . . . yes
C9 Si13 C14 107.22(16) . . . yes
C9 Si13 C15 112.87(16) . . . yes
C14 Si13 C15 114.69(17) . . . yes
C53 Si52 C54 111.93(18) . . . yes
C44 Si52 C54 111.27(17) . . . yes
C44 Si52 C48 98.26(16) . . . yes
C44 Si52 C53 113.23(17) . . . yes
C48 Si52 C53 109.83(17) . . . yes
C48 Si52 C54 111.58(17) . . . yes
C6 O1 C8 120.7(2) . . . yes
C45 O2 C47 119.7(2) . . . yes
P1 C1 C2 124.7(3) . . . yes
P1 C1 C6 116.8(2) . . . yes
C2 C1 C6 118.3(3) . . . no
C1 C2 C3 119.7(3) . . . no
C2 C3 C4 120.6(3) . . . no
C3 C4 C5 121.6(3) . . . no
Si13 C5 C4 127.2(3) . . . yes
Si13 C5 C6 116.5(2) . . . yes
C4 C5 C6 116.3(3) . . . no
O1 C6 C5 122.0(3) . . . yes
O1 C6 C1 114.4(3) . . . yes
C1 C6 C5 123.5(3) . . . no
C8 C7 C12 117.1(3) . . . no
P2 C7 C8 119.1(2) . . . yes
P2 C7 C12 123.4(3) . . . yes
C7 C8 C9 123.6(3) . . . no
O1 C8 C9 121.3(3) . . . yes
O1 C8 C7 115.0(3) . . . yes
Si13 C9 C8 116.7(2) . . . yes
C8 C9 C10 116.7(3) . . . no
Si13 C9 C10 126.5(3) . . . yes
C9 C10 C11 121.6(3) . . . no
C10 C11 C12 120.2(3) . . . no
C7 C12 C11 120.8(3) . . . no
P1 C16 C17 122.0(3) . . . yes
P1 C16 C21 117.9(3) . . . yes
C17 C16 C21 119.0(3) . . . no
C16 C17 C18 120.5(4) . . . no
C17 C18 C19 120.1(4) . . . no
C18 C19 C20 120.0(4) . . . no
C19 C20 C21 120.1(4) . . . no
C16 C21 C20 120.2(4) . . . no
P1 C22 C23 119.8(3) . . . yes
C23 C22 C27 119.4(3) . . . no
P1 C22 C27 119.6(2) . . . yes
C22 C23 C24 120.3(3) . . . no
C23 C24 C25 119.9(3) . . . no
C24 C25 C26 119.9(3) . . . no
C25 C26 C27 120.2(3) . . . no
C22 C27 C26 120.1(3) . . . no
P2 C28 C29 123.9(3) . . . yes
C29 C28 C33 118.8(3) . . . no
P2 C28 C33 117.0(3) . . . yes
C28 C29 C30 120.1(3) . . . no
C29 C30 C31 120.3(4) . . . no
C30 C31 C32 119.8(3) . . . no
C31 C32 C33 119.9(3) . . . no
C28 C33 C32 121.1(3) . . . no
C35 C34 C39 119.4(3) . . . no
P2 C34 C39 118.5(3) . . . yes
P2 C34 C35 121.9(3) . . . yes
C34 C35 C36 119.6(3) . . . no
C35 C36 C37 120.3(3) . . . no
C36 C37 C38 120.2(3) . . . no
C37 C38 C39 120.2(4) . . . no
C34 C39 C38 120.2(3) . . . no
C1 C2 H2 120.00 . . . no
C3 C2 H2 120.00 . . . no
C2 C3 H3 120.00 . . . no
C4 C3 H3 120.00 . . . no
C3 C4 H4 119.00 . . . no
C5 C4 H4 119.00 . . . no
C9 C10 H10 119.00 . . . no
C11 C10 H10 119.00 . . . no
C12 C11 H11 120.00 . . . no
C10 C11 H11 120.00 . . . no
C11 C12 H12 120.00 . . . no
C7 C12 H12 120.00 . . . no
Si13 C14 H14A 109.00 . . . no
Si13 C14 H14C 109.00 . . . no
H14A C14 H14B 110.00 . . . no
Si13 C14 H14B 109.00 . . . no
H14A C14 H14C 109.00 . . . no
H14B C14 H14C 109.00 . . . no
Si13 C15 H15A 110.00 . . . no
Si13 C15 H15B 109.00 . . . no
Si13 C15 H15C 109.00 . . . no
H15A C15 H15B 109.00 . . . no
H15A C15 H15C 110.00 . . . no
H15B C15 H15C 109.00 . . . no
C16 C17 H17 120.00 . . . no
C18 C17 H17 120.00 . . . no
C17 C18 H18 120.00 . . . no
C19 C18 H18 120.00 . . . no
C20 C19 H19 120.00 . . . no
C18 C19 H19 120.00 . . . no
C19 C20 H20 120.00 . . . no
C21 C20 H20 120.00 . . . no
C16 C21 H21 120.00 . . . no
C20 C21 H21 120.00 . . . no
C24 C23 H23 120.00 . . . no
C22 C23 H23 120.00 . . . no
C23 C24 H24 120.00 . . . no
C25 C24 H24 120.00 . . . no
C24 C25 H25 120.00 . . . no
C26 C25 H25 120.00 . . . no
C27 C26 H26 120.00 . . . no
C25 C26 H26 120.00 . . . no
C26 C27 H27 120.00 . . . no
C22 C27 H27 120.00 . . . no
C28 C29 H29 120.00 . . . no
C30 C29 H29 120.00 . . . no
C31 C30 H30 120.00 . . . no
C29 C30 H30 120.00 . . . no
C32 C31 H31 120.00 . . . no
C30 C31 H31 120.00 . . . no
C31 C32 H32 120.00 . . . no
C33 C32 H32 120.00 . . . no
C32 C33 H33 119.00 . . . no
C28 C33 H33 119.00 . . . no
C34 C35 H35 120.00 . . . no
C36 C35 H35 120.00 . . . no
C35 C36 H36 120.00 . . . no
C37 C36 H36 120.00 . . . no
C36 C37 H37 120.00 . . . no
C38 C37 H37 120.00 . . . no
C37 C38 H38 120.00 . . . no
C39 C38 H38 120.00 . . . no
C34 C39 H39 120.00 . . . no
C38 C39 H39 120.00 . . . no
P3 C40 C41 123.8(3) . . . yes
P3 C40 C45 118.7(2) . . . yes
C41 C40 C45 117.2(3) . . . no
C40 C41 C42 119.9(3) . . . no
C41 C42 C43 121.0(3) . . . no
C42 C43 C44 121.4(3) . . . no
Si52 C44 C43 125.5(3) . . . yes
Si52 C44 C45 117.9(2) . . . yes
C43 C44 C45 116.5(3) . . . no
O2 C45 C40 114.8(3) . . . yes
O2 C45 C44 121.4(3) . . . yes
C40 C45 C44 123.9(3) . . . no
P4 C46 C47 117.7(2) . . . yes
P4 C46 C51 125.2(3) . . . yes
C47 C46 C51 117.0(3) . . . no
O2 C47 C46 114.6(3) . . . yes
O2 C47 C48 121.2(3) . . . yes
C46 C47 C48 124.2(3) . . . no
Si52 C48 C47 118.2(3) . . . yes
Si52 C48 C49 125.6(3) . . . yes
C47 C48 C49 116.3(3) . . . no
C48 C49 C50 121.6(3) . . . no
C49 C50 C51 120.5(3) . . . no
C46 C51 C50 120.4(3) . . . no
P3 C55 C56 123.3(3) . . . yes
P3 C55 C60 117.6(3) . . . yes
C56 C55 C60 119.0(3) . . . no
C55 C56 C57 120.1(3) . . . no
C56 C57 C58 120.3(4) . . . no
C57 C58 C59 120.1(3) . . . no
C58 C59 C60 119.7(3) . . . no
C55 C60 C59 120.7(3) . . . no
P3 C61 C62 120.5(3) . . . yes
P3 C61 C66 119.7(3) . . . yes
C62 C61 C66 119.2(3) . . . no
C61 C62 C63 120.6(3) . . . no
C62 C63 C64 119.7(4) . . . no
C63 C64 C65 120.3(3) . . . no
C64 C65 C66 120.0(4) . . . no
C61 C66 C65 120.1(4) . . . no
P4 C67 C68 117.6(3) . . . yes
P4 C67 C72 122.7(3) . . . yes
C68 C67 C72 119.6(3) . . . no
C67 C68 C69 120.0(3) . . . no
C68 C69 C70 120.0(3) . . . no
C69 C70 C71 120.2(3) . . . no
C70 C71 C72 120.0(4) . . . no
C67 C72 C71 120.2(3) . . . no
P4 C73 C74 121.2(3) . . . yes
P4 C73 C78 119.4(3) . . . yes
C74 C73 C78 119.1(3) . . . no
C73 C74 C75 120.2(3) . . . no
C74 C75 C76 119.8(3) . . . no
C75 C76 C77 120.3(4) . . . no
C76 C77 C78 120.1(4) . . . no
C73 C78 C77 120.4(3) . . . no
C40 C41 H41 120.00 . . . no
C42 C41 H41 120.00 . . . no
C41 C42 H42 120.00 . . . no
C43 C42 H42 119.00 . . . no
C42 C43 H43 119.00 . . . no
C44 C43 H43 119.00 . . . no
C48 C49 H49 119.00 . . . no
C50 C49 H49 119.00 . . . no
C49 C50 H50 120.00 . . . no
C51 C50 H50 120.00 . . . no
C46 C51 H51 120.00 . . . no
C50 C51 H51 120.00 . . . no
Si52 C53 H53A 109.00 . . . no
Si52 C53 H53B 109.00 . . . no
Si52 C53 H53C 110.00 . . . no
H53A C53 H53B 109.00 . . . no
H53A C53 H53C 109.00 . . . no
H53B C53 H53C 109.00 . . . no
Si52 C54 H54A 109.00 . . . no
Si52 C54 H54B 109.00 . . . no
Si52 C54 H54C 109.00 . . . no
H54A C54 H54B 109.00 . . . no
H54A C54 H54C 110.00 . . . no
H54B C54 H54C 109.00 . . . no
C55 C56 H56 120.00 . . . no
C57 C56 H56 120.00 . . . no
C56 C57 H57 120.00 . . . no
C58 C57 H57 120.00 . . . no
C57 C58 H58 120.00 . . . no
C59 C58 H58 120.00 . . . no
C58 C59 H59 120.00 . . . no
C60 C59 H59 120.00 . . . no
C55 C60 H60 120.00 . . . no
C59 C60 H60 120.00 . . . no
C61 C62 H62 120.00 . . . no
C63 C62 H62 120.00 . . . no
C62 C63 H63 120.00 . . . no
C64 C63 H63 120.00 . . . no
C63 C64 H64 120.00 . . . no
C65 C64 H64 120.00 . . . no
C64 C65 H65 120.00 . . . no
C66 C65 H65 120.00 . . . no
C61 C66 H66 120.00 . . . no
C65 C66 H66 120.00 . . . no
C67 C68 H68 120.00 . . . no
C69 C68 H68 120.00 . . . no
C68 C69 H69 120.00 . . . no
C70 C69 H69 120.00 . . . no
C69 C70 H70 120.00 . . . no
C71 C70 H70 120.00 . . . no
C70 C71 H71 120.00 . . . no
C72 C71 H71 120.00 . . . no
C67 C72 H72 120.00 . . . no
C71 C72 H72 120.00 . . . no
C73 C74 H74 120.00 . . . no
C75 C74 H74 120.00 . . . no
C74 C75 H75 120.00 . . . no
C76 C75 H75 120.00 . . . no
C75 C76 H76 120.00 . . . no
C77 C76 H76 120.00 . . . no
C76 C77 H77 120.00 . . . no
C78 C77 H77 120.00 . . . no
C73 C78 H78 120.00 . . . no
C77 C78 H78 120.00 . . . no
N81 C82 C83 179.4(5) . . . yes
C82 C83 H83A 109.00 . . . no
C82 C83 H83B 109.00 . . . no
C82 C83 H83C 109.00 . . . no
H83A C83 H83B 110.00 . . . no
H83A C83 H83C 110.00 . . . no
H83B C83 H83C 109.00 . . . no
N84 C85 C86 178.6(6) . . . yes
C85 C86 H86A 109.00 . . . no
C85 C86 H86B 109.00 . . . no
C85 C86 H86C 109.00 . . . no
H86A C86 H86B 109.00 . . . no
H86A C86 H86C 110.00 . . . no
H86B C86 H86C 109.00 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3595(8) . . yes
Pt1 Cl2 2.3459(9) . . yes
Pt1 P1 2.2568(9) . . yes
Pt1 P2 2.2476(10) . . yes
Pt2 Cl4 2.3558(9) . . yes
Pt2 P3 2.2469(8) . . yes
Pt2 Cl3 2.3434(8) . . yes
Pt2 P4 2.2403(9) . . yes
P1 C1 1.826(3) . . yes
P1 C16 1.839(3) . . yes
P1 C22 1.822(3) . . yes
P2 C34 1.829(3) . . yes
P2 C7 1.823(3) . . yes
P2 C28 1.823(3) . . yes
P3 C55 1.828(3) . . yes
P3 C61 1.830(3) . . yes
P3 C40 1.825(3) . . yes
P4 C46 1.821(3) . . yes
P4 C67 1.814(3) . . yes
P4 C73 1.826(3) . . yes
Si13 C14 1.859(4) . . yes
Si13 C5 1.870(4) . . yes
Si13 C9 1.868(3) . . yes
Si13 C15 1.855(4) . . yes
Si52 C44 1.873(4) . . yes
Si52 C48 1.872(4) . . yes
Si52 C54 1.860(4) . . yes
Si52 C53 1.851(4) . . yes
O1 C8 1.400(4) . . yes
O1 C6 1.397(4) . . yes
O2 C45 1.404(4) . . yes
O2 C47 1.403(4) . . yes
N81 C82 1.138(6) . . yes
N84 C85 1.112(8) . . yes
C1 C6 1.399(5) . . no
C1 C2 1.397(5) . . no
C2 C3 1.390(5) . . no
C3 C4 1.385(5) . . no
C4 C5 1.404(5) . . no
C5 C6 1.392(4) . . no
C7 C12 1.407(5) . . no
C7 C8 1.393(4) . . no
C8 C9 1.401(5) . . no
C9 C10 1.398(5) . . no
C10 C11 1.381(5) . . no
C11 C12 1.388(5) . . no
C16 C21 1.392(5) . . no
C16 C17 1.389(5) . . no
C17 C18 1.386(6) . . no
C18 C19 1.375(8) . . no
C19 C20 1.386(7) . . no
C20 C21 1.388(6) . . no
C22 C27 1.385(5) . . no
C22 C23 1.401(5) . . no
C23 C24 1.383(5) . . no
C24 C25 1.394(5) . . no
C25 C26 1.383(5) . . no
C26 C27 1.394(5) . . no
C28 C33 1.402(5) . . no
C28 C29 1.387(5) . . no
C29 C30 1.382(5) . . no
C30 C31 1.397(5) . . no
C31 C32 1.376(5) . . no
C32 C33 1.372(5) . . no
C34 C35 1.394(5) . . no
C34 C39 1.402(5) . . no
C35 C36 1.395(5) . . no
C36 C37 1.388(6) . . no
C37 C38 1.379(5) . . no
C38 C39 1.384(5) . . no
C2 H2 0.9500 . . no
C3 H3 0.9500 . . no
C4 H4 0.9500 . . no
C10 H10 0.9500 . . no
C11 H11 0.9500 . . no
C12 H12 0.9500 . . no
C14 H14B 0.9800 . . no
C14 H14C 0.9800 . . no
C14 H14A 0.9800 . . no
C15 H15A 0.9800 . . no
C15 H15B 0.9800 . . no
C15 H15C 0.9800 . . no
C17 H17 0.9500 . . no
C18 H18 0.9500 . . no
C19 H19 0.9500 . . no
C20 H20 0.9500 . . no
C21 H21 0.9500 . . no
C23 H23 0.9500 . . no
C24 H24 0.9500 . . no
C25 H25 0.9500 . . no
C26 H26 0.9500 . . no
C27 H27 0.9500 . . no
C29 H29 0.9500 . . no
C30 H30 0.9500 . . no
C31 H31 0.9500 . . no
C32 H32 0.9500 . . no
C33 H33 0.9500 . . no
C35 H35 0.9500 . . no
C36 H36 0.9500 . . no
C37 H37 0.9500 . . no
C38 H38 0.9500 . . no
C39 H39 0.9500 . . no
C40 C45 1.404(5) . . no
C40 C41 1.411(5) . . no
C41 C42 1.388(5) . . no
C42 C43 1.384(5) . . no
C43 C44 1.400(5) . . no
C44 C45 1.397(5) . . no
C46 C47 1.405(5) . . no
C46 C51 1.393(5) . . no
C47 C48 1.392(5) . . no
C48 C49 1.393(5) . . no
C49 C50 1.385(5) . . no
C50 C51 1.392(5) . . no
C55 C60 1.402(5) . . no
C55 C56 1.389(5) . . no
C56 C57 1.395(5) . . no
C57 C58 1.382(5) . . no
C58 C59 1.389(6) . . no
C59 C60 1.385(5) . . no
C61 C62 1.386(5) . . no
C61 C66 1.400(5) . . no
C62 C63 1.391(5) . . no
C63 C64 1.391(5) . . no
C64 C65 1.377(6) . . no
C65 C66 1.393(5) . . no
C67 C72 1.391(5) . . no
C67 C68 1.393(5) . . no
C68 C69 1.390(5) . . no
C69 C70 1.386(6) . . no
C70 C71 1.387(5) . . no
C71 C72 1.389(5) . . no
C73 C78 1.396(5) . . no
C73 C74 1.394(5) . . no
C74 C75 1.395(5) . . no
C75 C76 1.389(6) . . no
C76 C77 1.380(6) . . no
C77 C78 1.391(5) . . no
C41 H41 0.9500 . . no
C42 H42 0.9500 . . no
C43 H43 0.9500 . . no
C49 H49 0.9500 . . no
C50 H50 0.9500 . . no
C51 H51 0.9500 . . no
C53 H53C 0.9800 . . no
C53 H53A 0.9800 . . no
C53 H53B 0.9800 . . no
C54 H54C 0.9800 . . no
C54 H54A 0.9800 . . no
C54 H54B 0.9800 . . no
C56 H56 0.9500 . . no
C57 H57 0.9500 . . no
C58 H58 0.9500 . . no
C59 H59 0.9500 . . no
C60 H60 0.9500 . . no
C62 H62 0.9500 . . no
C63 H63 0.9500 . . no
C64 H64 0.9500 . . no
C65 H65 0.9500 . . no
C66 H66 0.9500 . . no
C68 H68 0.9500 . . no
C69 H69 0.9500 . . no
C70 H70 0.9500 . . no
C71 H71 0.9500 . . no
C72 H72 0.9500 . . no
C74 H74 0.9500 . . no
C75 H75 0.9500 . . no
C76 H76 0.9500 . . no
C77 H77 0.9500 . . no
C78 H78 0.9500 . . no
C82 C83 1.456(6) . . no
C83 H83B 0.9800 . . no
C83 H83C 0.9800 . . no
C83 H83A 0.9800 . . no
C85 C86 1.444(9) . . no
C86 H86A 0.9800 . . no
C86 H86B 0.9800 . . no
C86 H86C 0.9800 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Pt1 O1 3.151(2) . . no
Pt2 C26 4.023(4) . 1_655 no
Pt2 O2 3.158(2) . . no
Pt1 H35 3.1400 . . no
Pt1 H27 3.1500 . . no
Pt1 H15C 3.5600 . 2_555 no
Pt2 H26 3.1700 . 1_655 no
Pt2 H78 3.0200 . . no
Pt2 H62 3.0900 . . no
Cl1 P1 3.1480(12) . . no
Cl1 Cl2 3.2314(13) . . no
Cl1 C22 3.355(3) . . no
Cl1 C27 3.289(3) . . no
Cl1 C1 3.537(3) . . no
Cl2 C34 3.422(4) . . no
Cl2 C35 3.191(3) . . no
Cl2 C7 3.576(3) . . no
Cl2 Cl1 3.2314(13) . . no
Cl2 P2 3.1667(13) . . no
Cl2 C86 3.524(6) . 2_545 no
Cl3 C62 3.188(3) . . no
Cl3 C25 3.566(4) . 1_655 no
Cl3 C40 3.510(3) . . no
Cl3 C61 3.257(3) . . no
Cl3 Cl4 3.2570(12) . . no
Cl3 C83 3.453(4) . 2_645 no
Cl3 C70 3.441(4) . 2_655 no
Cl3 C82 3.397(4) . 2_645 no
Cl3 C69 3.434(4) . 2_655 no
Cl3 P3 3.1194(11) . . no
Cl3 C26 3.485(4) . 1_655 no
Cl4 C58 3.597(4) . 2_655 no
Cl4 C73 3.254(3) . . no
Cl4 C46 3.489(4) . . no
Cl4 C78 3.200(4) . . no
Cl4 Cl3 3.2570(12) . . no
Cl4 P4 3.1054(12) . . no
Cl1 H32 3.0800 . 2_545 no
Cl1 H31 3.0200 . 2_545 no
Cl1 H27 2.8400 . . no
Cl1 H54A 2.7800 . 2_545 no
Cl1 H53A 2.9700 . 2_545 no
Cl1 H77 2.9400 . 1_455 no
Cl2 H20 2.9800 . 2_545 no
Cl2 H86A 3.0600 . 2_545 no
Cl2 H35 2.6600 . . no
Cl3 H26 2.8000 . 1_655 no
Cl3 H62 2.8300 . . no
Cl3 H25 2.9700 . 1_655 no
Cl3 H69 2.7900 . 2_655 no
Cl3 H70 2.8100 . 2_655 no
Cl4 H78 2.9000 . . no
Cl4 H10 3.1400 . 2_655 no
Cl4 H14B 3.1500 . 2_655 no
Cl4 H26 3.0600 . 1_655 no
Cl4 H59 3.1500 . 2_655 no
Cl4 H15B 3.0200 . 2_655 no
Cl4 H58 2.8900 . 2_655 no
P1 P2 3.4295(12) . . no
P1 Cl1 3.1480(12) . . no
P2 Cl2 3.1667(13) . . no
P2 P1 3.4295(12) . . no
P3 Cl3 3.1194(11) . . no
P3 P4 3.4454(12) . . no
P4 P3 3.4454(12) . . no
P4 Cl4 3.1054(12) . . no
O1 Pt1 3.151(2) . . no
O1 C28 3.368(4) . . no
O1 C16 3.163(4) . . no
O1 C17 3.191(4) . . no
O1 C29 3.254(4) . . no
O2 Pt2 3.158(2) . . no
O2 C55 3.320(4) . . no
O2 C56 3.149(4) . . no
O2 C67 3.168(4) . . no
O2 C72 3.105(4) . . no
O1 H29 2.6600 . . no
O1 H17 2.7400 . . no
O2 H72 2.6900 . . no
O2 H56 2.5400 . . no
N84 C72 3.262(6) . 4_555 no
N81 H70 2.8900 . 1_565 no
N81 H36 2.7000 . 3_565 no
N81 H15A 2.8200 . 4_554 no
N84 H72 2.5400 . 4_555 no
C2 C23 3.350(5) . . no
C6 C17 3.346(5) . . no
C8 C29 3.506(5) . . no
C12 C37 3.528(5) . 3_555 no
C12 C39 3.235(5) . . no
C14 C63 3.535(5) . 3_656 no
C14 C64 3.433(5) . 3_656 no
C14 C83 3.453(6) . 4_555 no
C14 C82 3.422(6) . 4_555 no
C16 O1 3.163(4) . . no
C16 C29 3.365(5) . . no
C16 C28 3.261(5) . . no
C17 O1 3.191(4) . . no
C17 C29 3.544(5) . . no
C17 C6 3.346(5) . . no
C20 C32 3.554(6) . . no
C20 C31 3.523(7) . . no
C21 C23 3.448(5) . . no
C21 C28 3.323(5) . . no
C21 C33 3.253(5) . . no
C21 C32 3.498(5) . . no
C23 C21 3.448(5) . . no
C23 C2 3.350(5) . . no
C25 Cl3 3.566(4) . 1_455 no
C25 C62 3.514(5) . 1_455 no
C26 Pt2 4.023(4) . 1_455 no
C26 Cl3 3.485(4) . 1_455 no
C27 Cl1 3.289(3) . . no
C28 C21 3.323(5) . . no
C28 C16 3.261(5) . . no
C28 O1 3.368(4) . . no
C29 C16 3.365(5) . . no
C29 C17 3.544(5) . . no
C29 C8 3.506(5) . . no
C29 O1 3.254(4) . . no
C31 C20 3.523(7) . . no
C32 C20 3.554(6) . . no
C32 C21 3.498(5) . . no
C33 C39 3.314(5) . . no
C33 C21 3.253(5) . . no
C35 Cl2 3.191(3) . . no
C37 C12 3.528(5) . 3_555 no
C39 C12 3.235(5) . . no
C39 C33 3.314(5) . . no
C41 C66 3.251(5) . . no
C42 C86 3.559(7) . . no
C45 C56 3.393(5) . . no
C47 C72 3.292(5) . . no
C50 C65 3.595(5) . 4_554 no
C51 C74 3.294(5) . . no
C55 C68 3.385(5) . . no
C55 C67 3.334(4) . . no
C55 O2 3.320(4) . . no
C56 O2 3.149(4) . . no
C56 C45 3.393(5) . . no
C56 C72 3.450(5) . . no
C56 C67 3.515(5) . . no
C57 C70 3.489(5) . . no
C57 C71 3.518(5) . . no
C58 Cl4 3.597(4) . 2_645 no
C58 C69 3.500(5) . . no
C58 C70 3.481(5) . . no
C59 C69 3.390(5) . . no
C60 C68 3.311(5) . . no
C60 C69 3.577(5) . . no
C60 C66 3.386(5) . . no
C62 C25 3.514(5) . 1_655 no
C62 Cl3 3.188(3) . . no
C63 C14 3.535(5) . 3_656 no
C64 C14 3.433(5) . 3_656 no
C65 C65 3.211(5) . 3_656 no
C65 C50 3.595(5) . 4_555 no
C65 C66 3.539(5) . 3_656 no
C66 C60 3.386(5) . . no
C66 C41 3.251(5) . . no
C66 C65 3.539(5) . 3_656 no
C67 C56 3.515(5) . . no
C67 C55 3.334(4) . . no
C67 O2 3.168(4) . . no
C68 C60 3.311(5) . . no
C68 C55 3.385(5) . . no
C69 C60 3.577(5) . . no
C69 Cl3 3.434(4) . 2_645 no
C69 C58 3.500(5) . . no
C69 C59 3.390(5) . . no
C70 C82 3.464(6) . 1_545 no
C70 C58 3.481(5) . . no
C70 Cl3 3.441(4) . 2_645 no
C70 C57 3.489(5) . . no
C71 C57 3.518(5) . . no
C72 C56 3.450(5) . . no
C72 O2 3.105(4) . . no
C72 N84 3.262(6) . 4_554 no
C72 C47 3.292(5) . . no
C74 C51 3.294(5) . . no
C74 C74 3.595(5) . 3_655 no
C74 C75 3.418(5) . 3_655 no
C74 C83 3.591(6) . 3_665 no
C75 C74 3.418(5) . 3_655 no
C75 C83 3.410(6) . 3_665 no
C78 Cl4 3.200(4) . . no
C82 C70 3.464(6) . 1_565 no
C82 Cl3 3.397(4) . 2_655 no
C82 C14 3.422(6) . 4_554 no
C83 C75 3.410(6) . 3_665 no
C83 C74 3.591(6) . 3_665 no
C83 Cl3 3.453(4) . 2_655 no
C83 C14 3.453(6) . 4_554 no
C86 Cl2 3.524(6) . 2_555 no
C86 C42 3.559(7) . . no
C1 H17 2.6000 . . no
C1 H23 3.0800 . . no
C2 H23 2.9300 . . no
C4 H33 2.9200 . 2_545 no
C6 H17 2.6600 . . no
C7 H29 2.7800 . . no
C8 H29 2.8100 . . no
C12 H37 2.9400 . 3_555 no
C12 H39 2.9600 . . no
C16 H23 2.9400 . . no
C19 H86A 3.0100 . . no
C22 H2 2.8400 . . no
C22 H21 2.9800 . . no
C23 H2 2.7500 . . no
C25 H62 2.8900 . 1_455 no
C26 H10 2.9500 . 2_555 no
C26 H62 3.0400 . 1_455 no
C28 H39 2.8400 . . no
C29 H57 3.0500 . . no
C31 H53A 3.0400 . . no
C31 H86A 2.8400 . . no
C32 H53A 3.0300 . . no
C33 H21 3.0000 . . no
C34 H33 2.7700 . . no
C34 H12 2.7100 . . no
C35 H4 3.0200 . 2_555 no
C36 H12 2.9000 . 3_555 no
C36 H4 2.7800 . 2_555 no
C37 H12 2.9800 . 3_555 no
C39 H12 2.5600 . . no
C40 H56 2.7500 . . no
C40 H66 3.0600 . . no
C41 H66 2.8700 . . no
C42 H86B 2.9700 . . no
C43 H68 3.0100 . 2_655 no
C45 H56 2.6800 . . no
C46 H72 2.5800 . . no
C47 H72 2.6200 . . no
C50 H65 3.0900 . 4_554 no
C51 H74 2.8700 . . no
C55 H66 3.0200 . . no
C59 H65 3.0800 . 3_656 no
C61 H41 2.8000 . . no
C61 H60 2.7000 . . no
C62 H25 3.0700 . 1_655 no
C62 H60 2.9700 . . no
C64 H14A 3.0600 . 3_656 no
C65 H65 2.9900 . 3_656 no
C65 H50 3.0000 . 4_555 no
C66 H50 2.8000 . 4_555 no
C66 H41 2.6100 . . no
C67 H75 3.0500 . 3_655 no
C71 H76 3.0500 . 3_655 no
C71 H75 3.0000 . 3_655 no
C72 H75 2.9600 . 3_655 no
C73 H68 2.9700 . . no
C73 H51 2.8800 . . no
C74 H51 2.6300 . . no
C74 H83C 3.0900 . 3_665 no
C74 H75 2.9700 . 3_655 no
C75 H74 2.8600 . 3_655 no
C75 H83B 2.9300 . 3_665 no
C76 H86C 3.0400 . 2_645 no
C77 H86C 3.0800 . 2_645 no
C82 H70 2.8900 . 1_565 no
C82 H14C 2.7100 . 4_554 no
C83 H14C 2.9300 . 4_554 no
C83 H14B 3.0800 . 4_554 no
C85 H19 2.8400 . . no
C86 H31 2.9100 . . no
C86 H19 3.0900 . . no
H2 C22 2.8400 . . no
H2 H23 2.4500 . . no
H2 C23 2.7500 . . no
H4 C35 3.0200 . 2_545 no
H4 C36 2.7800 . 2_545 no
H10 C26 2.9500 . 2_545 no
H10 H26 2.6000 . 2_545 no
H10 Cl4 3.1400 . 2_645 no
H12 C36 2.9000 . 3_555 no
H12 H39 2.4100 . . no
H12 H36 2.4600 . 3_555 no
H12 C34 2.7100 . . no
H12 C39 2.5600 . . no
H12 C37 2.9800 . 3_555 no
H14A C64 3.0600 . 3_656 no
H14B Cl4 3.1500 . 2_645 no
H14B C83 3.0800 . 4_555 no
H14C C83 2.9300 . 4_555 no
H14C C82 2.7100 . 4_555 no
H15A N81 2.8200 . 4_555 no
H15B Cl4 3.0200 . 2_645 no
H15C Pt1 3.5600 . 2_545 no
H17 O1 2.7400 . . no
H17 C1 2.6000 . . no
H17 C6 2.6600 . . no
H19 H86A 2.5900 . . no
H19 C85 2.8400 . . no
H19 C86 3.0900 . . no
H20 Cl2 2.9800 . 2_555 no
H21 C22 2.9800 . . no
H21 C33 3.0000 . . no
H23 C1 3.0800 . . no
H23 H2 2.4500 . . no
H23 C2 2.9300 . . no
H23 C16 2.9400 . . no
H25 Cl3 2.9700 . 1_455 no
H25 C62 3.0700 . 1_455 no
H26 Pt2 3.1700 . 1_455 no
H26 Cl4 3.0600 . 1_455 no
H26 Cl3 2.8000 . 1_455 no
H26 H10 2.6000 . 2_555 no
H27 Cl1 2.8400 . . no
H27 Pt1 3.1500 . . no
H29 C8 2.8100 . . no
H29 C7 2.7800 . . no
H29 O1 2.6600 . . no
H29 H57 2.4900 . . no
H31 C86 2.9100 . . no
H31 Cl1 3.0200 . 2_555 no
H31 H86A 2.2600 . . no
H32 Cl1 3.0800 . 2_555 no
H33 C34 2.7700 . . no
H33 C4 2.9200 . 2_555 no
H35 Pt1 3.1400 . . no
H35 Cl2 2.6600 . . no
H36 H12 2.4600 . 3_555 no
H36 N81 2.7000 . 3_565 no
H37 C12 2.9400 . 3_555 no
H38 N84 2.6000 . 4_554 no
H39 C28 2.8400 . . no
H39 H12 2.4100 . . no
H39 C12 2.9600 . . no
H41 C66 2.6100 . . no
H41 C61 2.8000 . . no
H41 H66 2.3500 . . no
H41 H50 2.5300 . 4_555 no
H50 C66 2.8000 . 4_554 no
H50 H41 2.5300 . 4_554 no
H50 C65 3.0000 . 4_554 no
H50 H66 2.3100 . 4_554 no
H51 H74 2.3000 . . no
H51 C73 2.8800 . . no
H51 C74 2.6300 . . no
H53A C31 3.0400 . . no
H53A Cl1 2.9700 . 2_555 no
H53A C32 3.0300 . . no
H54A Cl1 2.7800 . 2_555 no
H54C H60 2.5400 . 2_655 no
H56 C45 2.6800 . . no
H56 O2 2.5400 . . no
H56 C40 2.7500 . . no
H57 C29 3.0500 . . no
H57 H29 2.4900 . . no
H58 Cl4 2.8900 . 2_645 no
H59 Cl4 3.1500 . 2_645 no
H60 C62 2.9700 . . no
H60 C61 2.7000 . . no
H60 H54C 2.5400 . 2_645 no
H62 C26 3.0400 . 1_655 no
H62 Pt2 3.0900 . . no
H62 Cl3 2.8300 . . no
H62 C25 2.8900 . 1_655 no
H65 C59 3.0800 . 3_656 no
H65 C65 2.9900 . 3_656 no
H65 C50 3.0900 . 4_555 no
H66 C41 2.8700 . . no
H66 C55 3.0200 . . no
H66 H50 2.3100 . 4_555 no
H66 C40 3.0600 . . no
H66 H41 2.3500 . . no
H68 C73 2.9700 . . no
H68 C43 3.0100 . 2_645 no
H69 Cl3 2.7900 . 2_645 no
H70 Cl3 2.8100 . 2_645 no
H70 C82 2.8900 . 1_545 no
H70 N81 2.8900 . 1_545 no
H72 C46 2.5800 . . no
H72 O2 2.6900 . . no
H72 C47 2.6200 . . no
H72 N84 2.5400 . 4_554 no
H74 C51 2.8700 . . no
H74 C75 2.8600 . 3_655 no
H74 H75 2.5000 . 3_655 no
H74 H51 2.3000 . . no
H75 C72 2.9600 . 3_655 no
H75 C74 2.9700 . 3_655 no
H75 C71 3.0000 . 3_655 no
H75 C67 3.0500 . 3_655 no
H75 H74 2.5000 . 3_655 no
H76 C71 3.0500 . 3_655 no
H77 Cl1 2.9400 . 1_655 no
H78 Cl4 2.9000 . . no
H78 Pt2 3.0200 . . no
H83B C75 2.9300 . 3_665 no
H83C C74 3.0900 . 3_665 no
H86A C19 3.0100 . . no
H86A C31 2.8400 . . no
H86A H19 2.5900 . . no
H86A H31 2.2600 . . no
H86A Cl2 3.0600 . 2_555 no
H86B C42 2.9700 . . no
H86C C76 3.0400 . 2_655 no
H86C C77 3.0800 . 2_655 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C26 H26 Cl3 0.9500 2.8000 3.485(4) 130.00 1_455 yes
C35 H35 Cl2 0.9500 2.6600 3.191(3) 116.00 . yes
C38 H38 N84 0.9500 2.6000 3.486(7) 154.00 4_554 yes
C54 H54A Cl1 0.9800 2.7800 3.663(4) 151.00 2_555 yes
C56 H56 O2 0.9500 2.5400 3.149(4) 122.00 . yes
C62 H62 Cl3 0.9500 2.8300 3.188(3) 104.00 . yes
C69 H69 Cl3 0.9500 2.7900 3.434(4) 125.00 2_645 yes
C70 H70 Cl3 0.9500 2.8100 3.441(4) 125.00 2_645 yes
C72 H72 N84 0.9500 2.5400 3.262(6) 133.00 4_554 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl1 Pt1 P1 C1 74.63(11) . . . . no
Cl1 Pt1 P1 C16 -167.31(14) . . . . no
Cl1 Pt1 P1 C22 -44.05(12) . . . . no
P2 Pt1 P1 C1 -100.84(11) . . . . no
P2 Pt1 P1 C16 17.22(14) . . . . no
P2 Pt1 P1 C22 140.48(12) . . . . no
Cl2 Pt1 P2 C7 -70.76(11) . . . . no
Cl2 Pt1 P2 C28 167.63(13) . . . . no
Cl2 Pt1 P2 C34 47.92(12) . . . . no
P1 Pt1 P2 C7 93.96(11) . . . . no
P1 Pt1 P2 C28 -27.65(13) . . . . no
P1 Pt1 P2 C34 -147.36(12) . . . . no
P4 Pt2 P3 C55 24.22(14) . . . . no
P4 Pt2 P3 C61 145.67(12) . . . . no
Cl4 Pt2 P4 C46 -72.68(12) . . . . no
Cl3 Pt2 P3 C40 73.37(11) . . . . no
Cl3 Pt2 P3 C55 -165.45(14) . . . . no
Cl3 Pt2 P3 C61 -44.00(12) . . . . no
P4 Pt2 P3 C40 -96.97(11) . . . . no
P3 Pt2 P4 C73 -142.09(11) . . . . no
Cl4 Pt2 P4 C73 47.01(11) . . . . no
P3 Pt2 P4 C46 98.22(12) . . . . no
Cl4 Pt2 P4 C67 169.56(14) . . . . no
P3 Pt2 P4 C67 -19.54(14) . . . . no
Pt1 P1 C1 C6 60.5(2) . . . . no
C16 P1 C1 C2 111.4(3) . . . . no
Pt1 P1 C1 C2 -114.2(3) . . . . no
C1 P1 C22 C27 -139.2(3) . . . . no
C16 P1 C22 C23 -53.4(3) . . . . no
C16 P1 C22 C27 113.9(3) . . . . no
C16 P1 C1 C6 -73.9(3) . . . . no
C22 P1 C1 C2 10.2(3) . . . . no
C22 P1 C1 C6 -175.0(2) . . . . no
Pt1 P1 C16 C17 -118.8(3) . . . . no
Pt1 P1 C16 C21 73.4(3) . . . . no
C1 P1 C16 C17 -1.8(3) . . . . no
C1 P1 C16 C21 -169.7(3) . . . . no
C22 P1 C16 C17 109.5(3) . . . . no
C22 P1 C16 C21 -58.4(3) . . . . no
Pt1 P1 C22 C23 167.9(2) . . . . no
Pt1 P1 C22 C27 -24.8(3) . . . . no
C1 P1 C22 C23 53.5(3) . . . . no
Pt1 P2 C34 C35 8.5(3) . . . . no
Pt1 P2 C34 C39 -176.2(2) . . . . no
C7 P2 C34 C35 126.7(3) . . . . no
C7 P2 C34 C39 -58.0(3) . . . . no
C28 P2 C34 C35 -123.3(3) . . . . no
C28 P2 C34 C39 52.0(3) . . . . no
C28 P2 C7 C8 80.3(3) . . . . no
C28 P2 C7 C12 -107.0(3) . . . . no
C34 P2 C7 C8 -175.6(3) . . . . no
C34 P2 C7 C12 -3.0(3) . . . . no
Pt1 P2 C28 C29 107.0(3) . . . . no
Pt1 P2 C28 C33 -79.5(3) . . . . no
C7 P2 C28 C29 -14.4(3) . . . . no
C7 P2 C28 C33 159.1(3) . . . . no
C34 P2 C28 C29 -124.7(3) . . . . no
C34 P2 C28 C33 48.8(3) . . . . no
Pt1 P2 C7 C8 -50.8(3) . . . . no
Pt1 P2 C7 C12 121.9(3) . . . . no
C55 P3 C40 C41 111.7(3) . . . . no
C55 P3 C61 C62 111.9(3) . . . . no
C55 P3 C61 C66 -59.2(3) . . . . no
Pt2 P3 C55 C56 -101.9(3) . . . . no
Pt2 P3 C55 C60 83.0(3) . . . . no
C40 P3 C55 C56 17.9(3) . . . . no
C40 P3 C55 C60 -157.2(3) . . . . no
C61 P3 C55 C56 129.7(3) . . . . no
C61 P3 C55 C60 -45.4(3) . . . . no
Pt2 P3 C61 C62 -24.6(3) . . . . no
Pt2 P3 C61 C66 164.4(2) . . . . no
C40 P3 C61 C62 -138.5(3) . . . . no
C40 P3 C61 C66 50.5(3) . . . . no
Pt2 P3 C40 C41 -113.7(3) . . . . no
Pt2 P3 C40 C45 58.9(3) . . . . no
C61 P3 C40 C45 -179.7(3) . . . . no
C55 P3 C40 C45 -75.7(3) . . . . no
C61 P3 C40 C41 7.8(3) . . . . no
Pt2 P4 C46 C47 -58.9(3) . . . . no
C67 P4 C46 C51 -110.9(3) . . . . no
C73 P4 C46 C47 179.3(3) . . . . no
C73 P4 C46 C51 -4.3(4) . . . . no
Pt2 P4 C67 C68 -70.0(3) . . . . no
Pt2 P4 C67 C72 113.7(3) . . . . no
C46 P4 C67 C68 172.6(3) . . . . no
C46 P4 C67 C72 -3.8(3) . . . . no
C73 P4 C67 C68 58.3(3) . . . . no
C73 P4 C67 C72 -118.1(3) . . . . no
Pt2 P4 C73 C74 -162.2(2) . . . . no
Pt2 P4 C73 C78 23.7(3) . . . . no
C46 P4 C73 C74 -46.7(3) . . . . no
C46 P4 C73 C78 139.1(3) . . . . no
Pt2 P4 C46 C51 117.5(3) . . . . no
C67 P4 C46 C47 72.7(3) . . . . no
C67 P4 C73 C78 -111.8(3) . . . . no
C67 P4 C73 C74 62.4(3) . . . . no
C9 Si13 C5 C6 -31.1(3) . . . . no
C14 Si13 C5 C4 -97.2(3) . . . . no
C15 Si13 C5 C4 30.8(4) . . . . no
C15 Si13 C5 C6 -151.6(2) . . . . no
C14 Si13 C5 C6 80.5(3) . . . . no
C9 Si13 C5 C4 151.2(3) . . . . no
C14 Si13 C9 C8 -81.8(3) . . . . no
C14 Si13 C9 C10 97.6(3) . . . . no
C15 Si13 C9 C8 150.9(3) . . . . no
C15 Si13 C9 C10 -29.6(4) . . . . no
C5 Si13 C9 C8 29.8(3) . . . . no
C5 Si13 C9 C10 -150.7(3) . . . . no
C54 Si52 C44 C43 28.5(4) . . . . no
C48 Si52 C44 C43 145.6(3) . . . . no
C48 Si52 C44 C45 -29.7(3) . . . . no
C53 Si52 C44 C43 -98.6(3) . . . . no
C53 Si52 C44 C45 86.1(3) . . . . no
C54 Si52 C48 C49 -34.4(4) . . . . no
C54 Si52 C44 C45 -146.8(3) . . . . no
C44 Si52 C48 C47 30.2(3) . . . . no
C44 Si52 C48 C49 -151.2(3) . . . . no
C53 Si52 C48 C47 -88.2(3) . . . . no
C53 Si52 C48 C49 90.3(3) . . . . no
C54 Si52 C48 C47 147.1(3) . . . . no
C8 O1 C6 C1 -140.0(3) . . . . no
C8 O1 C6 C5 43.3(4) . . . . no
C6 O1 C8 C7 137.7(3) . . . . no
C6 O1 C8 C9 -44.7(4) . . . . no
C47 O2 C45 C40 -135.8(3) . . . . no
C47 O2 C45 C44 45.2(4) . . . . no
C45 O2 C47 C46 137.1(3) . . . . no
C45 O2 C47 C48 -44.6(4) . . . . no
C6 C1 C2 C3 0.8(5) . . . . no
P1 C1 C6 O1 6.1(4) . . . . no
P1 C1 C6 C5 -177.2(3) . . . . no
C2 C1 C6 O1 -178.8(3) . . . . no
C2 C1 C6 C5 -2.1(5) . . . . no
P1 C1 C2 C3 175.5(3) . . . . no
C1 C2 C3 C4 0.8(5) . . . . no
C2 C3 C4 C5 -1.2(5) . . . . no
C3 C4 C5 C6 0.0(5) . . . . no
C3 C4 C5 Si13 177.6(3) . . . . no
Si13 C5 C6 O1 0.2(4) . . . . no
C4 C5 C6 O1 178.2(3) . . . . no
C4 C5 C6 C1 1.7(5) . . . . no
Si13 C5 C6 C1 -176.2(2) . . . . no
P2 C7 C8 C9 172.2(3) . . . . no
C12 C7 C8 O1 176.6(3) . . . . no
C12 C7 C8 C9 -0.9(5) . . . . no
P2 C7 C12 C11 -172.4(3) . . . . no
C8 C7 C12 C11 0.4(5) . . . . no
P2 C7 C8 O1 -10.2(4) . . . . no
O1 C8 C9 Si13 2.4(4) . . . . no
O1 C8 C9 C10 -177.2(3) . . . . no
C7 C8 C9 C10 0.3(5) . . . . no
C7 C8 C9 Si13 179.8(3) . . . . no
Si13 C9 C10 C11 -178.5(3) . . . . no
C8 C9 C10 C11 0.9(5) . . . . no
C9 C10 C11 C12 -1.4(6) . . . . no
C10 C11 C12 C7 0.7(6) . . . . no
P1 C16 C17 C18 -166.1(3) . . . . no
P1 C16 C21 C20 167.6(3) . . . . no
C17 C16 C21 C20 -0.7(6) . . . . no
C21 C16 C17 C18 1.7(6) . . . . no
C16 C17 C18 C19 -1.0(6) . . . . no
C17 C18 C19 C20 -0.7(7) . . . . no
C18 C19 C20 C21 1.7(8) . . . . no
C19 C20 C21 C16 -1.0(7) . . . . no
P1 C22 C23 C24 166.8(3) . . . . no
C27 C22 C23 C24 -0.6(5) . . . . no
C23 C22 C27 C26 1.4(5) . . . . no
P1 C22 C27 C26 -166.0(3) . . . . no
C22 C23 C24 C25 -0.8(5) . . . . no
C23 C24 C25 C26 1.4(6) . . . . no
C24 C25 C26 C27 -0.5(5) . . . . no
C25 C26 C27 C22 -0.9(5) . . . . no
P2 C28 C29 C30 171.6(3) . . . . no
P2 C28 C33 C32 -173.0(3) . . . . no
C29 C28 C33 C32 0.9(5) . . . . no
C33 C28 C29 C30 -1.9(5) . . . . no
C28 C29 C30 C31 0.8(6) . . . . no
C29 C30 C31 C32 1.3(6) . . . . no
C30 C31 C32 C33 -2.2(6) . . . . no
C31 C32 C33 C28 1.1(6) . . . . no
P2 C34 C35 C36 176.5(3) . . . . no
P2 C34 C39 C38 -178.0(3) . . . . no
C35 C34 C39 C38 -2.5(5) . . . . no
C39 C34 C35 C36 1.3(5) . . . . no
C34 C35 C36 C37 0.5(5) . . . . no
C35 C36 C37 C38 -1.1(5) . . . . no
C36 C37 C38 C39 -0.2(5) . . . . no
C37 C38 C39 C34 2.0(5) . . . . no
P3 C40 C41 C42 174.6(3) . . . . no
C45 C40 C41 C42 2.0(5) . . . . no
P3 C40 C45 O2 3.7(4) . . . . no
P3 C40 C45 C44 -177.3(3) . . . . no
C41 C40 C45 O2 176.8(3) . . . . no
C41 C40 C45 C44 -4.3(5) . . . . no
C40 C41 C42 C43 1.2(6) . . . . no
C41 C42 C43 C44 -2.4(6) . . . . no
C42 C43 C44 Si52 -175.1(3) . . . . no
C42 C43 C44 C45 0.2(5) . . . . no
Si52 C44 C45 O2 -2.2(4) . . . . no
Si52 C44 C45 C40 178.9(3) . . . . no
C43 C44 C45 O2 -177.9(3) . . . . no
C43 C44 C45 C40 3.2(5) . . . . no
P4 C46 C47 O2 -5.0(4) . . . . no
P4 C46 C47 C48 176.7(3) . . . . no
C51 C46 C47 O2 178.3(3) . . . . no
C51 C46 C47 C48 0.0(5) . . . . no
P4 C46 C51 C50 -177.3(3) . . . . no
C47 C46 C51 C50 -0.9(5) . . . . no
O2 C47 C48 Si52 1.3(4) . . . . no
O2 C47 C48 C49 -177.4(3) . . . . no
C46 C47 C48 Si52 179.4(3) . . . . no
C46 C47 C48 C49 0.7(5) . . . . no
Si52 C48 C49 C50 -179.2(3) . . . . no
C47 C48 C49 C50 -0.7(5) . . . . no
C48 C49 C50 C51 -0.1(6) . . . . no
C49 C50 C51 C46 0.9(6) . . . . no
P3 C55 C56 C57 -175.6(3) . . . . no
C60 C55 C56 C57 -0.6(5) . . . . no
P3 C55 C60 C59 175.0(3) . . . . no
C56 C55 C60 C59 -0.3(5) . . . . no
C55 C56 C57 C58 0.8(5) . . . . no
C56 C57 C58 C59 -0.2(6) . . . . no
C57 C58 C59 C60 -0.7(6) . . . . no
C58 C59 C60 C55 0.9(5) . . . . no
P3 C61 C62 C63 -172.2(3) . . . . no
C66 C61 C62 C63 -1.1(5) . . . . no
P3 C61 C66 C65 175.1(3) . . . . no
C62 C61 C66 C65 3.9(5) . . . . no
C61 C62 C63 C64 -1.5(5) . . . . no
C62 C63 C64 C65 1.4(5) . . . . no
C63 C64 C65 C66 1.5(5) . . . . no
C64 C65 C66 C61 -4.1(5) . . . . no
P4 C67 C68 C69 -177.3(3) . . . . no
C72 C67 C68 C69 -0.9(5) . . . . no
P4 C67 C72 C71 176.8(3) . . . . no
C68 C67 C72 C71 0.5(5) . . . . no
C67 C68 C69 C70 0.4(5) . . . . no
C68 C69 C70 C71 0.4(6) . . . . no
C69 C70 C71 C72 -0.7(6) . . . . no
C70 C71 C72 C67 0.2(5) . . . . no
P4 C73 C74 C75 -177.4(3) . . . . no
C78 C73 C74 C75 -3.2(5) . . . . no
P4 C73 C78 C77 175.8(3) . . . . no
C74 C73 C78 C77 1.5(5) . . . . no
C73 C74 C75 C76 2.2(5) . . . . no
C74 C75 C76 C77 0.7(6) . . . . no
C75 C76 C77 C78 -2.4(5) . . . . no
C76 C77 C78 C73 1.4(5) . . . . no
