#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/96/4109603.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_4109603
loop_
_publ_author_name
'Jürgen Stahl'
'Wolfgang Mohr'
'Laura de Quadras'
'Thomas B. Peters'
'James C. Bohling'
'José Miguel Martín-Alvarez'
'Gareth R. Owen'
'Frank Hampel'
'John A. Gladysz'
_publ_section_title
;
 sp Carbon Chains Surrounded by sp3 Carbon Double Helices:
 Coordination-Driven Self-Assembly of Wirelike Pt(C\\tbC)nPt Moieties That
 Are Spanned by Two P(CH2)mP Linkages
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8282
_journal_page_last               8295
_journal_paper_doi               10.1021/ja0716103
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C166.5 H204 F10 P4 Pt2'
_chemical_formula_weight         2909.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.2750(10)
_cell_angle_beta                 101.0840(10)
_cell_angle_gamma                95.3460(10)
_cell_formula_units_Z            2
_cell_length_a                   18.2250(2)
_cell_length_b                   20.9677(2)
_cell_length_c                   22.1980(2)
_cell_measurement_reflns_used    34603
_cell_measurement_temperature    173(2)
_cell_volume                     7690.11(15)
_computing_cell_refinement       Scalepack
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        Scalepack
_computing_molecular_graphics    'SHELXTL NT 5.1'
_computing_publication_material  'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            66646
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    1.919
_exptl_absorpt_correction_T_max  0.7001
_exptl_absorpt_correction_T_min  0.5967
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_description       needle
_exptl_crystal_F_000             3017
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.603
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1649
_refine_ls_number_reflns         35183
_refine_ls_number_restraints     117
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.287
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0547P)²+0.8187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                23026
_reflns_number_total             35183
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0716103si20070411_100822.cif
_cod_data_source_block           js07
_cod_original_cell_volume        7690.11(13)
_cod_original_formula_sum        'C166.50 H204 F10 P4 Pt2'
_cod_database_code               4109603
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pt1 Pt 0.140434(9) 1.523468(8) -0.169179(8) 0.02714(5) Uani 1 1 d .
P1 P 0.21113(6) 1.59374(6) -0.06544(5) 0.0299(2) Uani 1 1 d .
C1 C 0.1609(2) 1.6014(2) -0.1986(2) 0.0320(10) Uani 1 1 d .
C1B C 0.1280(3) 1.4576(2) -0.3358(2) 0.0348(10) Uani 1 1 d .
H1BA H 0.1014 1.4205 -0.3785 0.042 Uiso 1 1 calc R
H1BB H 0.1297 1.5019 -0.3426 0.042 Uiso 1 1 calc R
C1A C 0.1763(3) 1.6757(2) -0.0350(2) 0.0380(11) Uani 1 1 d .
H1AA H 0.1974 1.6979 0.0134 0.046 Uiso 1 1 calc R
H1AB H 0.1959 1.7067 -0.0554 0.046 Uiso 1 1 calc R
Pt2 Pt 0.286792(9) 2.044612(8) -0.334380(8) 0.02717(5) Uani 1 1 d .
P2 P 0.07195(7) 1.45988(6) -0.27551(6) 0.0317(3) Uani 1 1 d .
C2 C 0.1734(3) 1.6481(2) -0.2171(2) 0.0352(10) Uani 1 1 d .
C2A C 0.0897(3) 1.6691(2) -0.0489(2) 0.0423(12) Uani 1 1 d .
H2AA H 0.0681 1.6487 -0.0973 0.051 Uiso 1 1 calc R
H2AB H 0.0694 1.6374 -0.0295 0.051 Uiso 1 1 calc R
C2B C 0.2093(3) 1.4457(2) -0.3180(2) 0.0412(11) Uani 1 1 d .
H2BA H 0.2082 1.4011 -0.3120 0.049 Uiso 1 1 calc R
H2BB H 0.2364 1.4826 -0.2753 0.049 Uiso 1 1 calc R
P3 P 0.24581(6) 1.97375(5) -0.44422(5) 0.0274(2) Uani 1 1 d .
C3 C 0.1874(3) 1.7025(2) -0.2363(2) 0.0413(12) Uani 1 1 d .
C3A C 0.0645(3) 1.7382(3) -0.0208(3) 0.0506(13) Uani 1 1 d .
H3AA H 0.0892 1.7596 0.0271 0.061 Uiso 1 1 calc R
H3AB H 0.0090 1.7297 -0.0253 0.061 Uiso 1 1 calc R
C3B C 0.2532(3) 1.4452(3) -0.3705(3) 0.0493(13) Uani 1 1 d .
H3BA H 0.3029 1.4318 -0.3582 0.059 Uiso 1 1 calc R
H3BB H 0.2248 1.4093 -0.4133 0.059 Uiso 1 1 calc R
P4 P 0.32747(7) 2.10717(6) -0.22276(5) 0.0332(3) Uani 1 1 d .
C4 C 0.1996(3) 1.7504(2) -0.2533(2) 0.0424(12) Uani 1 1 d .
C4A C 0.0822(3) 1.7895(2) -0.0529(3) 0.0495(13) Uani 1 1 d .
H4AA H 0.0681 1.8339 -0.0281 0.059 Uiso 1 1 calc R
H4AB H 0.1376 1.7977 -0.0488 0.059 Uiso 1 1 calc R
C4B C 0.2669(3) 1.5133(3) -0.3800(3) 0.0521(13) Uani 1 1 d .
H4BA H 0.2173 1.5272 -0.3915 0.063 Uiso 1 1 calc R
H4BB H 0.2905 1.5061 -0.4179 0.063 Uiso 1 1 calc R
C5 C 0.2141(3) 1.8055(2) -0.2708(2) 0.0433(12) Uani 1 1 d .
C5A C 0.0417(3) 1.7667(2) -0.1250(2) 0.0465(12) Uani 1 1 d .
H5AA H -0.0128 1.7507 -0.1305 0.056 Uiso 1 1 calc R
H5AB H 0.0627 1.7273 -0.1514 0.056 Uiso 1 1 calc R
C5B C 0.3173(3) 1.5718(2) -0.3200(3) 0.0492(13) Uani 1 1 d .
H5BA H 0.2915 1.5820 -0.2832 0.059 Uiso 1 1 calc R
H5BB H 0.3652 1.5564 -0.3060 0.059 Uiso 1 1 calc R
C6 C 0.2278(3) 1.8559(2) -0.2842(2) 0.0381(11) Uani 1 1 d .
C6A C 0.0500(3) 1.8241(3) -0.1511(3) 0.0508(13) Uani 1 1 d .
H6AA H 0.1046 1.8440 -0.1399 0.061 Uiso 1 1 calc R
H6AB H 0.0238 1.8610 -0.1277 0.061 Uiso 1 1 calc R
C6B C 0.3362(3) 1.6377(3) -0.3322(3) 0.0498(13) Uani 1 1 d .
H6BA H 0.3625 1.6275 -0.3687 0.060 Uiso 1 1 calc R
H6BB H 0.2882 1.6525 -0.3469 0.060 Uiso 1 1 calc R
C7 C 0.2452(2) 1.9123(2) -0.2987(2) 0.0336(10) Uani 1 1 d .
C7A C 0.0191(3) 1.8033(3) -0.2250(3) 0.0492(13) Uani 1 1 d .
H7AA H -0.0359 1.7847 -0.2363 0.059 Uiso 1 1 calc R
H7AB H 0.0443 1.7657 -0.2486 0.059 Uiso 1 1 calc R
C7B C 0.3852(3) 1.6966(3) -0.2728(3) 0.0526(14) Uani 1 1 d .
H7BA H 0.4338 1.6823 -0.2587 0.063 Uiso 1 1 calc R
H7BB H 0.3595 1.7062 -0.2359 0.063 Uiso 1 1 calc R
C8 C 0.2615(2) 1.9626(2) -0.3122(2) 0.0310(10) Uani 1 1 d .
C8A C 0.0302(3) 1.8620(3) -0.2495(3) 0.0492(13) Uani 1 1 d .
H8AA H -0.0022 1.8958 -0.2318 0.059 Uiso 1 1 calc R
H8AB H 0.0837 1.8858 -0.2313 0.059 Uiso 1 1 calc R
C8B C 0.4022(3) 1.7628(3) -0.2854(3) 0.0512(13) Uani 1 1 d .
H8BA H 0.4351 1.7550 -0.3170 0.061 Uiso 1 1 calc R
H8BB H 0.3539 1.7725 -0.3067 0.061 Uiso 1 1 calc R
C9A C 0.0121(3) 1.8402(2) -0.3236(3) 0.0490(13) Uani 1 1 d .
H9AA H -0.0413 1.8162 -0.3419 0.059 Uiso 1 1 calc R
H9AB H 0.0448 1.8067 -0.3415 0.059 Uiso 1 1 calc R
C9B C 0.4400(3) 1.8251(3) -0.2248(3) 0.0606(15) Uani 1 1 d .
H9BA H 0.4877 1.8150 -0.2029 0.073 Uiso 1 1 calc R
H9BB H 0.4065 1.8336 -0.1937 0.073 Uiso 1 1 calc R
C10A C 0.0231(3) 1.8998(2) -0.3472(2) 0.0446(12) Uani 1 1 d .
H10A H -0.0105 1.9328 -0.3304 0.054 Uiso 1 1 calc R
H10B H 0.0762 1.9245 -0.3282 0.054 Uiso 1 1 calc R
C10B C 0.4585(3) 1.8907(3) -0.2378(3) 0.0575(14) Uani 1 1 d .
H10C H 0.4939 1.8832 -0.2674 0.069 Uiso 1 1 calc R
H10D H 0.4112 1.9001 -0.2612 0.069 Uiso 1 1 calc R
C11 C 0.1198(2) 1.4436(2) -0.1380(2) 0.0305(10) Uani 1 1 d .
C11A C 0.0061(3) 1.8763(2) -0.4220(2) 0.0450(12) Uani 1 1 d .
H11A H -0.0463 1.8501 -0.4408 0.054 Uiso 1 1 calc R
H11B H 0.0409 1.8445 -0.4384 0.054 Uiso 1 1 calc R
C11B C 0.4936(3) 1.9530(3) -0.1759(3) 0.0625(15) Uani 1 1 d .
H11C H 0.5373 1.9416 -0.1498 0.075 Uiso 1 1 calc R
H11D H 0.4559 1.9639 -0.1488 0.075 Uiso 1 1 calc R
C12A C 0.0139(3) 1.9350(2) -0.4474(2) 0.0422(11) Uani 1 1 d .
H12A H -0.0050 1.9155 -0.4961 0.051 Uiso 1 1 calc R
H12B H -0.0193 1.9677 -0.4292 0.051 Uiso 1 1 calc R
C12 C 0.0586(3) 1.4307(3) -0.1160(3) 0.0630(17) Uani 1 1 d D
F12 F 0.0234(5) 1.4903(4) -0.0899(5) 0.078(3) Uani 0.513(7) 1 d PD
F12' F -0.0086(3) 1.4526(3) -0.1413(4) 0.0446(17) Uani 0.487(7) 1 d PD
C12B C 0.5209(3) 2.0172(3) -0.1889(3) 0.0626(16) Uani 1 1 d .
H12C H 0.5467 2.0545 -0.1461 0.075 Uiso 1 1 calc R
H12D H 0.5589 2.0063 -0.2157 0.075 Uiso 1 1 calc R
C13A C 0.0938(2) 1.9752(2) -0.4304(2) 0.0363(10) Uani 1 1 d .
H13A H 0.1135 1.9948 -0.3818 0.044 Uiso 1 1 calc R
H13B H 0.0919 2.0141 -0.4459 0.044 Uiso 1 1 calc R
C13B C 0.4582(3) 2.0439(3) -0.2245(2) 0.0463(12) Uani 1 1 d .
H13C H 0.4320 2.0067 -0.2672 0.056 Uiso 1 1 calc R
H13D H 0.4814 2.0827 -0.2343 0.056 Uiso 1 1 calc R
F13 F 0.0017(6) 1.3888(5) -0.0438(6) 0.097(4) Uani 0.513(7) 1 d PD
F13' F -0.0318(4) 1.3503(4) -0.0963(4) 0.058(2) Uani 0.487(7) 1 d PD
C13 C 0.0458(3) 1.3784(3) -0.0923(3) 0.075(2) Uani 1 1 d D
C14B C 0.3993(3) 2.0686(2) -0.1848(2) 0.0395(11) Uani 1 1 d .
H14A H 0.4261 2.1029 -0.1406 0.047 Uiso 1 1 calc R
H14B H 0.3734 2.0287 -0.1782 0.047 Uiso 1 1 calc R
C14A C 0.1482(2) 1.9304(2) -0.4617(2) 0.0323(10) Uani 1 1 d .
H14C H 0.1277 1.9108 -0.5103 0.039 Uiso 1 1 calc R
H14D H 0.1490 1.8913 -0.4464 0.039 Uiso 1 1 calc R
F14 F 0.0844(2) 1.28662(15) -0.06611(15) 0.0646(9) Uani 1 1 d .
C14 C 0.0957(3) 1.3368(2) -0.0894(2) 0.0437(12) Uani 1 1 d .
F15 F 0.2241(3) 1.3242(3) -0.0817(4) 0.061(2) Uani 0.513(7) 1 d PD
F15' F 0.1858(6) 1.2845(4) -0.1415(5) 0.091(4) Uani 0.487(7) 1 d PD
C15 C 0.1582(4) 1.3474(3) -0.1100(4) 0.088(2) Uani 1 1 d D
F16 F 0.2471(3) 1.4248(3) -0.1277(3) 0.0430(17) Uani 0.513(7) 1 d PD
F16' F 0.2099(4) 1.3864(4) -0.1873(4) 0.069(3) Uani 0.487(7) 1 d PD
C16 C 0.1684(3) 1.3998(3) -0.1337(4) 0.076(2) Uani 1 1 d D
C21 C 0.3099(2) 1.6209(2) -0.0623(2) 0.0319(10) Uani 1 1 d .
C22 C 0.3615(3) 1.6625(2) -0.0030(2) 0.0414(11) Uani 1 1 d .
H22A H 0.3457 1.6743 0.0373 0.050 Uiso 1 1 calc R
C23 C 0.4349(3) 1.6866(3) -0.0020(2) 0.0435(12) Uani 1 1 d .
H23A H 0.4687 1.7152 0.0389 0.052 Uiso 1 1 calc R
C24 C 0.4605(2) 1.6695(2) -0.0604(2) 0.0345(10) Uani 1 1 d .
C25 C 0.4098(2) 1.6280(2) -0.1185(2) 0.0349(10) Uani 1 1 d .
H25A H 0.4259 1.6154 -0.1586 0.042 Uiso 1 1 calc R
C26 C 0.3358(2) 1.6039(2) -0.1199(2) 0.0341(10) Uani 1 1 d .
H26A H 0.3022 1.5753 -0.1609 0.041 Uiso 1 1 calc R
C27 C 0.5433(3) 1.6971(2) -0.0562(2) 0.0414(11) Uani 1 1 d .
C27B C 0.5971(3) 1.6742(3) -0.0096(3) 0.0532(13) Uani 1 1 d .
H27A H 0.5895 1.6237 -0.0262 0.080 Uiso 1 1 calc R
H27B H 0.5870 1.6918 0.0345 0.080 Uiso 1 1 calc R
H27C H 0.6496 1.6924 -0.0069 0.080 Uiso 1 1 calc R
C27A C 0.5540(3) 1.7767(3) -0.0306(3) 0.0625(16) Uani 1 1 d .
H27D H 0.5430 1.7943 0.0132 0.094 Uiso 1 1 calc R
H27E H 0.5193 1.7908 -0.0613 0.094 Uiso 1 1 calc R
H27F H 0.6065 1.7956 -0.0273 0.094 Uiso 1 1 calc R
C27C C 0.5610(3) 1.6703(3) -0.1255(3) 0.0601(15) Uani 1 1 d .
H27G H 0.5543 1.6198 -0.1424 0.090 Uiso 1 1 calc R
H27H H 0.6135 1.6894 -0.1219 0.090 Uiso 1 1 calc R
H27I H 0.5263 1.6848 -0.1559 0.090 Uiso 1 1 calc R
C31 C 0.2151(2) 1.5573(2) -0.0019(2) 0.0316(10) Uani 1 1 d .
C32 C 0.1585(4) 1.5582(4) 0.0306(3) 0.084(2) Uani 1 1 d .
H32A H 0.1186 1.5826 0.0227 0.100 Uiso 1 1 calc R
C33 C 0.1572(4) 1.5255(4) 0.0738(3) 0.087(2) Uani 1 1 d .
H33A H 0.1162 1.5280 0.0948 0.105 Uiso 1 1 calc R
C34 C 0.2115(3) 1.4895(3) 0.0881(2) 0.0423(12) Uani 1 1 d .
C35 C 0.2674(3) 1.4874(4) 0.0552(3) 0.080(2) Uani 1 1 d .
H35A H 0.3065 1.4620 0.0625 0.096 Uiso 1 1 calc R
C36 C 0.2693(3) 1.5209(4) 0.0113(3) 0.077(2) Uani 1 1 d .
H36A H 0.3100 1.5181 -0.0101 0.092 Uiso 1 1 calc R
C37 C 0.2072(3) 1.4536(3) 0.1367(3) 0.0575(15) Uani 1 1 d .
C37C C 0.1310(5) 1.4054(4) 0.1155(4) 0.105(3) Uani 1 1 d .
H37A H 0.1285 1.3828 0.1472 0.157 Uiso 1 1 calc R
H37B H 0.1258 1.3703 0.0714 0.157 Uiso 1 1 calc R
H37C H 0.0898 1.4321 0.1144 0.157 Uiso 1 1 calc R
C37B C 0.2705(6) 1.4156(7) 0.1448(6) 0.205(7) Uani 1 1 d .
H37D H 0.3189 1.4473 0.1589 0.308 Uiso 1 1 calc R
H37E H 0.2681 1.3784 0.1026 0.308 Uiso 1 1 calc R
H37F H 0.2663 1.3959 0.1783 0.308 Uiso 1 1 calc R
C37A C 0.2123(7) 1.5055(5) 0.2029(4) 0.152(5) Uani 1 1 d .
H37G H 0.2609 1.5373 0.2179 0.229 Uiso 1 1 calc R
H37H H 0.2089 1.4823 0.2340 0.229 Uiso 1 1 calc R
H37I H 0.1705 1.5315 0.2007 0.229 Uiso 1 1 calc R
C41 C -0.0105(2) 1.4951(2) -0.3029(2) 0.0311(10) Uani 1 1 d .
C42 C -0.0250(3) 1.5574(2) -0.2643(2) 0.0395(11) Uani 1 1 d .
H42A H 0.0068 1.5812 -0.2212 0.047 Uiso 1 1 calc R
C43 C -0.0845(3) 1.5862(2) -0.2863(2) 0.0423(12) Uani 1 1 d .
H43A H -0.0928 1.6294 -0.2582 0.051 Uiso 1 1 calc R
C44 C -0.1320(3) 1.5535(2) -0.3485(2) 0.0367(11) Uani 1 1 d .
C45 C -0.1177(3) 1.4904(3) -0.3877(2) 0.0506(13) Uani 1 1 d .
H45A H -0.1496 1.4665 -0.4307 0.061 Uiso 1 1 calc R
C46 C -0.0582(3) 1.4617(2) -0.3655(2) 0.0484(13) Uani 1 1 d .
H46A H -0.0498 1.4184 -0.3934 0.058 Uiso 1 1 calc R
C47 C -0.1987(3) 1.5845(3) -0.3751(3) 0.0487(13) Uani 1 1 d .
C47C C -0.2123(4) 1.6481(4) -0.3196(3) 0.092(2) Uani 1 1 d .
H47A H -0.2550 1.6666 -0.3378 0.138 Uiso 1 1 calc R
H47B H -0.1666 1.6837 -0.3019 0.138 Uiso 1 1 calc R
H47C H -0.2241 1.6344 -0.2841 0.138 Uiso 1 1 calc R
C47B C -0.1802(5) 1.6072(5) -0.4281(4) 0.134(4) Uani 1 1 d .
H47D H -0.1724 1.5675 -0.4642 0.201 Uiso 1 1 calc R
H47E H -0.1339 1.6422 -0.4098 0.201 Uiso 1 1 calc R
H47F H -0.2224 1.6270 -0.4452 0.201 Uiso 1 1 calc R
C47A C -0.2722(4) 1.5318(4) -0.4024(5) 0.116(3) Uani 1 1 d .
H47G H -0.2658 1.4911 -0.4383 0.174 Uiso 1 1 calc R
H47H H -0.3135 1.5524 -0.4194 0.174 Uiso 1 1 calc R
H47I H -0.2845 1.5180 -0.3671 0.174 Uiso 1 1 calc R
C51 C 0.0346(3) 1.3708(2) -0.2897(2) 0.0354(10) Uani 1 1 d .
C52 C -0.0329(3) 1.3535(3) -0.2767(3) 0.0626(16) Uani 1 1 d .
H52A H -0.0651 1.3869 -0.2668 0.075 Uiso 1 1 calc R
C53 C -0.0553(4) 1.2889(3) -0.2775(3) 0.0741(19) Uani 1 1 d .
H53A H -0.1027 1.2790 -0.2680 0.089 Uiso 1 1 calc R
C54 C -0.0117(3) 1.2377(2) -0.2917(2) 0.0448(12) Uani 1 1 d .
C55 C 0.0540(4) 1.2547(3) -0.3068(4) 0.086(2) Uani 1 1 d .
H55A H 0.0846 1.2204 -0.3197 0.103 Uiso 1 1 calc R
C56 C 0.0779(4) 1.3197(3) -0.3043(4) 0.084(2) Uani 1 1 d .
H56A H 0.1258 1.3299 -0.3128 0.101 Uiso 1 1 calc R
C57 C -0.0362(4) 1.1668(3) -0.2901(3) 0.0575(15) Uani 1 1 d .
C57C C -0.1216(4) 1.1417(3) -0.3218(4) 0.090(2) Uani 1 1 d .
H57A H -0.1502 1.1756 -0.2985 0.134 Uiso 1 1 calc R
H57B H -0.1372 1.0972 -0.3187 0.134 Uiso 1 1 calc R
H57C H -0.1320 1.1364 -0.3684 0.134 Uiso 1 1 calc R
C57B C 0.0051(5) 1.1122(3) -0.3283(4) 0.118(3) Uani 1 1 d .
H57D H 0.0599 1.1263 -0.3092 0.178 Uiso 1 1 calc R
H57E H -0.0061 1.1075 -0.3748 0.178 Uiso 1 1 calc R
H57F H -0.0121 1.0679 -0.3254 0.178 Uiso 1 1 calc R
C57A C -0.0219(5) 1.1731(3) -0.2182(3) 0.114(3) Uani 1 1 d .
H57G H 0.0324 1.1885 -0.1972 0.171 Uiso 1 1 calc R
H57H H -0.0383 1.1280 -0.2164 0.171 Uiso 1 1 calc R
H57I H -0.0505 1.2067 -0.1947 0.171 Uiso 1 1 calc R
C61 C 0.3102(3) 2.1308(2) -0.3562(2) 0.0309(10) Uani 1 1 d .
F62 F 0.18011(16) 2.13859(14) -0.38621(15) 0.0535(7) Uani 1 1 d .
C62 C 0.2542(3) 2.1644(2) -0.3776(2) 0.0408(11) Uani 1 1 d .
F63 F 0.2116(2) 2.25283(16) -0.41143(18) 0.0767(10) Uani 1 1 d .
C63 C 0.2686(3) 2.2231(3) -0.3906(3) 0.0497(13) Uani 1 1 d .
F64 F 0.3581(2) 2.31081(15) -0.39312(17) 0.0781(11) Uani 1 1 d .
C64 C 0.3422(4) 2.2519(3) -0.3817(3) 0.0554(15) Uani 1 1 d .
F65 F 0.47290(18) 2.25180(16) -0.34945(16) 0.0683(9) Uani 1 1 d .
C65 C 0.3998(3) 2.2217(2) -0.3597(2) 0.0475(13) Uani 1 1 d .
F66 F 0.44307(15) 2.13605(14) -0.32691(13) 0.0469(7) Uani 1 1 d .
C66 C 0.3834(3) 2.1637(2) -0.3480(2) 0.0354(10) Uani 1 1 d .
C71 C 0.2942(2) 1.9001(2) -0.4729(2) 0.0295(10) Uani 1 1 d .
C72 C 0.3343(3) 1.8743(2) -0.4293(2) 0.0373(11) Uani 1 1 d .
H72A H 0.3432 1.8989 -0.3830 0.045 Uiso 1 1 calc R
C73 C 0.3611(3) 1.8136(2) -0.4526(3) 0.0444(12) Uani 1 1 d .
H73A H 0.3880 1.7967 -0.4218 0.053 Uiso 1 1 calc R
C74 C 0.3498(3) 1.7757(2) -0.5206(2) 0.0428(12) Uani 1 1 d .
C75 C 0.3117(3) 1.8031(2) -0.5633(2) 0.0471(12) Uani 1 1 d .
H75A H 0.3040 1.7792 -0.6096 0.056 Uiso 1 1 calc R
C76 C 0.2842(3) 1.8644(2) -0.5405(2) 0.0404(11) Uani 1 1 d .
H76A H 0.2585 1.8821 -0.5711 0.048 Uiso 1 1 calc R
C77 C 0.3809(4) 1.7076(3) -0.5436(3) 0.0615(16) Uani 1 1 d .
C77C C 0.4696(3) 1.7256(3) -0.5189(3) 0.079(2) Uani 1 1 d .
H77A H 0.4911 1.6832 -0.5326 0.118 Uiso 1 1 calc R
H77B H 0.4838 1.7477 -0.4705 0.118 Uiso 1 1 calc R
H77C H 0.4895 1.7572 -0.5380 0.118 Uiso 1 1 calc R
C77B C 0.3527(4) 1.6598(3) -0.5131(4) 0.086(2) Uani 1 1 d .
H77D H 0.2974 1.6472 -0.5284 0.130 Uiso 1 1 calc R
H77E H 0.3670 1.6827 -0.4648 0.130 Uiso 1 1 calc R
H77F H 0.3755 1.6180 -0.5262 0.130 Uiso 1 1 calc R
C77A C 0.3625(5) 1.6739(3) -0.6168(3) 0.096(2) Uani 1 1 d .
H77G H 0.3073 1.6616 -0.6340 0.143 Uiso 1 1 calc R
H77H H 0.3851 1.6320 -0.6294 0.143 Uiso 1 1 calc R
H77I H 0.3830 1.7057 -0.6355 0.143 Uiso 1 1 calc R
C81 C 0.2501(2) 2.0169(2) -0.5019(2) 0.0299(9) Uani 1 1 d .
C82 C 0.1865(3) 2.0285(2) -0.5389(2) 0.0400(11) Uani 1 1 d .
H82A H 0.1375 2.0090 -0.5383 0.048 Uiso 1 1 calc R
C83 C 0.1930(3) 2.0682(3) -0.5769(2) 0.0488(13) Uani 1 1 d .
H83A H 0.1483 2.0761 -0.6014 0.059 Uiso 1 1 calc R
C84 C 0.2635(3) 2.0967(3) -0.5797(2) 0.0455(12) Uani 1 1 d .
C85 C 0.3267(3) 2.0836(3) -0.5434(2) 0.0454(12) Uani 1 1 d .
H85A H 0.3757 2.1021 -0.5449 0.054 Uiso 1 1 calc R
C86 C 0.3212(3) 2.0446(2) -0.5052(2) 0.0392(11) Uani 1 1 d .
H86A H 0.3659 2.0366 -0.4809 0.047 Uiso 1 1 calc R
C87 C 0.2716(3) 2.1423(4) -0.6204(3) 0.0727(19) Uani 1 1 d .
C87C C 0.1986(4) 2.1519(5) -0.6551(5) 0.127(4) Uani 1 1 d .
H87A H 0.1708 2.1074 -0.6881 0.191 Uiso 1 1 calc R
H87B H 0.2079 2.1839 -0.6773 0.191 Uiso 1 1 calc R
H87C H 0.1684 2.1709 -0.6231 0.191 Uiso 1 1 calc R
C87B C 0.3103(6) 2.2175(5) -0.5691(5) 0.159(5) Uani 1 1 d .
H87D H 0.3167 2.2483 -0.5930 0.238 Uiso 1 1 calc R
H87E H 0.3601 2.2156 -0.5441 0.238 Uiso 1 1 calc R
H87F H 0.2781 2.2349 -0.5386 0.238 Uiso 1 1 calc R
C87A C 0.3251(6) 2.1202(6) -0.6623(5) 0.164(5) Uani 1 1 d .
H87G H 0.3045 2.0738 -0.6955 0.246 Uiso 1 1 calc R
H87H H 0.3739 2.1197 -0.6348 0.246 Uiso 1 1 calc R
H87I H 0.3326 2.1524 -0.6846 0.246 Uiso 1 1 calc R
C91 C 0.3687(3) 2.1972(2) -0.1988(2) 0.0356(11) Uani 1 1 d .
C92 C 0.3202(3) 2.2427(2) -0.2076(3) 0.0473(13) Uani 1 1 d .
H92A H 0.2669 2.2272 -0.2217 0.057 Uiso 1 1 calc R
C93 C 0.3494(3) 2.3099(2) -0.1960(3) 0.0486(13) Uani 1 1 d .
H93A H 0.3154 2.3402 -0.2017 0.058 Uiso 1 1 calc R
C94 C 0.4269(3) 2.3351(2) -0.1763(2) 0.0435(12) Uani 1 1 d .
C95 C 0.4748(3) 2.2899(2) -0.1669(2) 0.0424(12) Uani 1 1 d .
H95A H 0.5281 2.3057 -0.1526 0.051 Uiso 1 1 calc R
C96 C 0.4462(3) 2.2215(2) -0.1779(2) 0.0394(11) Uani 1 1 d .
H96A H 0.4801 2.1915 -0.1710 0.047 Uiso 1 1 calc R
C97 C 0.4573(3) 2.4106(2) -0.1634(3) 0.0550(14) Uani 1 1 d .
C97C C 0.4530(5) 2.4545(3) -0.0938(3) 0.103(3) Uani 1 1 d .
H97A H 0.4719 2.5031 -0.0845 0.154 Uiso 1 1 calc R
H97B H 0.4841 2.4395 -0.0618 0.154 Uiso 1 1 calc R
H97C H 0.4001 2.4493 -0.0904 0.154 Uiso 1 1 calc R
C97A C 0.4100(5) 2.4360(3) -0.2113(3) 0.088(2) Uani 1 1 d .
H97D H 0.4125 2.4088 -0.2565 0.131 Uiso 1 1 calc R
H97E H 0.4297 2.4848 -0.2006 0.131 Uiso 1 1 calc R
H97F H 0.3572 2.4310 -0.2078 0.131 Uiso 1 1 calc R
C97B C 0.5380(4) 2.4192(4) -0.1703(6) 0.145(4) Uani 1 1 d .
H97G H 0.5399 2.3907 -0.2153 0.217 Uiso 1 1 calc R
H97H H 0.5703 2.4048 -0.1384 0.217 Uiso 1 1 calc R
H97I H 0.5561 2.4678 -0.1616 0.217 Uiso 1 1 calc R
C101 C 0.2548(3) 2.1107(2) -0.1763(2) 0.0352(10) Uani 1 1 d .
C102 C 0.1854(3) 2.0667(2) -0.2032(2) 0.0408(11) Uani 1 1 d .
H10E H 0.1728 2.0372 -0.2486 0.049 Uiso 1 1 calc R
C103 C 0.1341(3) 2.0650(2) -0.1650(2) 0.0435(12) Uani 1 1 d .
H10F H 0.0870 2.0342 -0.1848 0.052 Uiso 1 1 calc R
C104 C 0.1499(3) 2.1073(2) -0.0983(2) 0.0398(11) Uani 1 1 d .
C105 C 0.2169(3) 2.1531(3) -0.0735(2) 0.0569(15) Uani 1 1 d .
H10G H 0.2285 2.1845 -0.0288 0.068 Uiso 1 1 calc R
C106 C 0.2681(3) 2.1549(3) -0.1118(2) 0.0582(16) Uani 1 1 d .
H10H H 0.3138 2.1877 -0.0927 0.070 Uiso 1 1 calc R
C107 C 0.0946(3) 2.1007(3) -0.0557(2) 0.0471(13) Uani 1 1 d .
C108 C 0.1136(3) 2.1594(3) 0.0107(2) 0.0582(15) Uani 1 1 d .
H10I H 0.1651 2.1605 0.0348 0.087 Uiso 1 1 calc R
H10J H 0.0773 2.1527 0.0362 0.087 Uiso 1 1 calc R
H10K H 0.1109 2.2031 0.0043 0.087 Uiso 1 1 calc R
C109 C 0.0129(3) 2.1006(4) -0.0906(3) 0.0755(19) Uani 1 1 d .
H10L H -0.0015 2.0629 -0.1341 0.113 Uiso 1 1 calc R
H10M H 0.0102 2.1448 -0.0962 0.113 Uiso 1 1 calc R
H10N H -0.0219 2.0941 -0.0638 0.113 Uiso 1 1 calc R
C110 C 0.0994(4) 2.0329(3) -0.0456(3) 0.086(2) Uani 1 1 d .
H11E H 0.1515 2.0334 -0.0233 0.129 Uiso 1 1 calc R
H11F H 0.0849 1.9945 -0.0886 0.129 Uiso 1 1 calc R
H11G H 0.0649 2.0270 -0.0183 0.129 Uiso 1 1 calc R
C200 C 0.7827(14) 1.0158(9) -0.0910(10) 0.350(15) Uani 1 1 d D
H20A H 0.7431 1.0356 -0.0700 0.525 Uiso 1 1 calc R
H20B H 0.7879 1.0332 -0.1259 0.525 Uiso 1 1 calc R
H20C H 0.8311 1.0291 -0.0578 0.525 Uiso 1 1 calc R
C201 C 0.7623(14) 0.9419(9) -0.1192(7) 0.261(16) Uani 1 1 d D
C202 C 0.7028(9) 0.8886(14) -0.1395(10) 0.221(12) Uani 1 1 d D
H20D H 0.6561 0.9042 -0.1355 0.265 Uiso 1 1 calc R
C203 C 0.6940(11) 0.8153(13) -0.1651(10) 0.237(13) Uani 1 1 d D
H20E H 0.6522 0.7823 -0.1688 0.285 Uiso 1 1 calc R
C204 C 0.7591(14) 0.8049(11) -0.1824(6) 0.251(14) Uani 1 1 d D
H20F H 0.7654 0.7588 -0.2046 0.301 Uiso 1 1 calc R
C205 C 0.8195(8) 0.8592(13) -0.1693(8) 0.207(12) Uani 1 1 d D
H20H H 0.8646 0.8447 -0.1804 0.248 Uiso 1 1 calc R
C206 C 0.8229(14) 0.9254(11) -0.1445(7) 0.293(16) Uani 1 1 d D
H20I H 0.8629 0.9582 -0.1441 0.352 Uiso 1 1 calc R
C300 C 1.4460(6) 1.3431(5) 0.3682(7) 0.194(6) Uani 1 1 d D
H30A H 1.4727 1.3400 0.4095 0.291 Uiso 1 1 calc R
H30B H 1.4569 1.3071 0.3306 0.291 Uiso 1 1 calc R
H30C H 1.3912 1.3368 0.3649 0.291 Uiso 1 1 calc R
C301 C 1.4718(6) 1.4113(5) 0.3674(6) 0.113(3) Uani 1 1 d D
C302 C 1.5224(6) 1.4637(7) 0.4190(5) 0.130(4) Uani 1 1 d D
H30D H 1.5439 1.4559 0.4578 0.157 Uiso 1 1 calc R
C303 C 1.5430(6) 1.5285(6) 0.4155(5) 0.119(3) Uani 1 1 d D
H30E H 1.5784 1.5639 0.4513 0.143 Uiso 1 1 calc R
C304 C 1.5125(6) 1.5395(5) 0.3620(6) 0.112(3) Uani 1 1 d D
H30F H 1.5254 1.5829 0.3588 0.134 Uiso 1 1 calc R
C305 C 1.4614(6) 1.4871(6) 0.3105(5) 0.117(3) Uani 1 1 d D
H30G H 1.4399 1.4954 0.2719 0.140 Uiso 1 1 calc R
C306 C 1.4411(5) 1.4251(6) 0.3128(4) 0.105(3) Uani 1 1 d D
H30H H 1.4054 1.3907 0.2766 0.126 Uiso 1 1 calc R
C400 C 0.6628(6) 1.1829(4) 0.0531(6) 0.155(5) Uani 1 1 d D
H40A H 0.7068 1.2140 0.0867 0.233 Uiso 1 1 calc R
H40B H 0.6161 1.1993 0.0627 0.233 Uiso 1 1 calc R
H40C H 0.6666 1.1820 0.0094 0.233 Uiso 1 1 calc R
C401 C 0.6611(5) 1.1138(4) 0.0538(4) 0.090(2) Uani 1 1 d D
C402 C 0.6042(5) 1.0618(5) 0.0089(4) 0.111(3) Uani 1 1 d D
H40D H 0.5666 1.0716 -0.0211 0.134 Uiso 1 1 calc R
C403 C 0.6018(7) 0.9955(5) 0.0077(5) 0.140(4) Uani 1 1 d D
H40E H 0.5609 0.9606 -0.0221 0.168 Uiso 1 1 calc R
C404 C 0.6548(7) 0.9791(5) 0.0469(5) 0.124(4) Uani 1 1 d D
H40F H 0.6533 0.9326 0.0437 0.148 Uiso 1 1 calc R
C405 C 0.7117(5) 1.0300(5) 0.0920(4) 0.103(3) Uani 1 1 d D
H40G H 0.7496 1.0197 0.1215 0.123 Uiso 1 1 calc R
C406 C 0.7129(4) 1.0947(4) 0.0938(4) 0.086(2) Uani 1 1 d D
H40H H 0.7528 1.1295 0.1253 0.103 Uiso 1 1 calc R
C500 C 0.9408(7) 1.3864(5) 0.4109(4) 0.152(4) Uani 1 1 d D
H50A H 0.8904 1.3910 0.3893 0.228 Uiso 1 1 calc R
H50B H 0.9673 1.3632 0.3772 0.228 Uiso 1 1 calc R
H50C H 0.9701 1.4323 0.4389 0.228 Uiso 1 1 calc R
C501 C 0.9327(5) 1.3461(4) 0.4511(4) 0.092(2) Uani 1 1 d D
C502 C 0.8637(5) 1.3187(4) 0.4543(4) 0.098(2) Uani 1 1 d D
H50D H 0.8196 1.3268 0.4294 0.117 Uiso 1 1 calc R
C503 C 0.8543(6) 1.2785(5) 0.4929(5) 0.123(4) Uani 1 1 d D
H50E H 0.8056 1.2598 0.4947 0.147 Uiso 1 1 calc R
C504 C 0.9187(7) 1.2686(4) 0.5268(4) 0.117(4) Uani 1 1 d D
H50F H 0.9158 1.2423 0.5538 0.140 Uiso 1 1 calc R
C505 C 0.9904(5) 1.2964(4) 0.5233(4) 0.099(3) Uani 1 1 d D
H50G H 1.0349 1.2885 0.5480 0.119 Uiso 1 1 calc R
C506 C 0.9968(5) 1.3334(4) 0.4862(3) 0.084(2) Uani 1 1 d D
H50H H 1.0456 1.3510 0.4838 0.100 Uiso 1 1 calc R
C600 C 0.5197(7) 1.9956(7) -0.3763(5) 0.072(4) Uani 0.50 1 d PD
H60A H 0.5021 1.9484 -0.3800 0.108 Uiso 0.50 1 calc PR
H60B H 0.4910 2.0272 -0.3503 0.108 Uiso 0.50 1 calc PR
H60C H 0.5738 2.0093 -0.3542 0.108 Uiso 0.50 1 calc PR
C601 C 0.5087(3) 1.9982(4) -0.4377(4) 0.0700(18) Uani 1 1 d D
C602 C 0.5296(3) 2.0597(3) -0.4450(4) 0.0720(18) Uani 1 1 d D
H60D H 0.5503 2.1007 -0.4073 0.086 Uiso 1 1 calc R
C603 C 0.4802(3) 1.9394(3) -0.4921(4) 0.0699(19) Uani 1 1 d D
H60E H 0.4668 1.8972 -0.4867 0.084 Uiso 1 1 calc R
C700 C 0.2857(9) 1.8944(8) 0.2205(7) 0.237(3) Uani 1 1 d D
H70A H 0.3252 1.9308 0.2517 0.355 Uiso 1 1 d R
H70B H 0.2802 1.8965 0.1774 0.355 Uiso 1 1 d R
H70C H 0.2388 1.8996 0.2338 0.355 Uiso 1 1 d R
C701 C 0.3186(10) 1.8344(9) 0.2289(8) 0.237(3) Uani 1 1 d D
C702 C 0.2456(9) 1.8113(9) 0.1799(8) 0.237(3) Uani 1 1 d D
H70D H 0.2174 1.8413 0.1643 0.284 Uiso 1 1 d R
C703 C 0.2228(10) 1.7446(10) 0.1643(8) 0.237(3) Uani 1 1 d D
H70E H 0.1745 1.7229 0.1340 0.284 Uiso 1 1 d R
C704 C 0.2645(10) 1.7044(9) 0.1855(8) 0.237(3) Uani 1 1 d D
H70F H 0.2440 1.6566 0.1734 0.284 Uiso 1 1 d R
C705 C 0.3343(10) 1.7277(9) 0.2231(8) 0.237(3) Uani 1 1 d D
H70G H 0.3657 1.6978 0.2355 0.284 Uiso 1 1 d R
C706 C 0.3615(10) 1.7919(9) 0.2422(8) 0.237(3) Uani 1 1 d D
H70H H 0.4127 1.8119 0.2673 0.284 Uiso 1 1 d R
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C1 Pt1 C11 179.50(18) . .
C1 Pt1 P2 87.73(12) . .
C11 Pt1 P2 92.77(12) . .
C1 Pt1 P1 87.96(12) . .
C11 Pt1 P1 91.54(12) . .
P2 Pt1 P1 175.69(4) . .
C1 Pt1 Pt2 2.41(12) . .
C11 Pt1 Pt2 177.09(12) . .
P2 Pt1 Pt2 90.13(3) . .
P1 Pt1 Pt2 85.56(3) . .
C21 P1 C31 104.6(2) . .
C21 P1 C1A 103.3(2) . .
C31 P1 C1A 106.7(2) . .
C21 P1 Pt1 114.02(14) . .
C31 P1 Pt1 115.61(15) . .
C1A P1 Pt1 111.50(16) . .
C2 C1 Pt1 179.3(4) . .
C2B C1B P2 116.0(3) . .
C2A C1A P1 114.9(3) . .
C8 Pt2 C61 178.20(16) . .
C8 Pt2 P4 87.50(12) . .
C61 Pt2 P4 91.88(12) . .
C8 Pt2 P3 87.85(12) . .
C61 Pt2 P3 92.80(12) . .
P4 Pt2 P3 175.23(4) . .
C8 Pt2 Pt1 2.16(13) . .
C61 Pt2 Pt1 177.24(11) . .
P4 Pt2 Pt1 85.50(3) . .
P3 Pt2 Pt1 89.83(3) . .
C51 P2 C1B 107.4(2) . .
C51 P2 C41 105.0(2) . .
C1B P2 C41 103.33(19) . .
C51 P2 Pt1 114.29(15) . .
C1B P2 Pt1 111.75(15) . .
C41 P2 Pt1 114.20(14) . .
C1 C2 C3 178.3(5) . .
C3A C2A C1A 112.3(4) . .
C1B C2B C3B 113.1(4) . .
C81 P3 C14A 108.0(2) . .
C81 P3 C71 104.53(19) . .
C14A P3 C71 101.36(19) . .
C81 P3 Pt2 114.81(14) . .
C14A P3 Pt2 110.35(14) . .
C71 P3 Pt2 116.68(14) . .
C4 C3 C2 179.9(7) . .
C2A C3A C4A 115.4(4) . .
C4B C3B C2B 115.1(4) . .
C91 P4 C101 103.7(2) . .
C91 P4 C14B 106.3(2) . .
C101 P4 C14B 104.1(2) . .
C91 P4 Pt2 116.05(14) . .
C101 P4 Pt2 115.18(15) . .
C14B P4 Pt2 110.43(15) . .
C3 C4 C5 178.5(6) . .
C5A C4A C3A 114.5(4) . .
C3B C4B C5B 114.4(4) . .
C6 C5 C4 177.9(6) . .
C4A C5A C6A 112.3(4) . .
C6B C5B C4B 113.7(4) . .
C5 C6 C7 178.5(5) . .
C5A C6A C7A 115.5(4) . .
C7B C6B C5B 114.3(4) . .
C8 C7 C6 179.1(5) . .
C6A C7A C8A 113.9(4) . .
C6B C7B C8B 113.7(4) . .
C7 C8 Pt2 179.3(4) . .
C9A C8A C7A 114.7(4) . .
C9B C8B C7B 114.8(5) . .
C8A C9A C10A 113.9(4) . .
C8B C9B C10B 114.7(5) . .
C11A C10A C9A 112.8(4) . .
C11B C10B C9B 113.5(5) . .
C12 C11 C16 111.6(4) . .
C12 C11 Pt1 124.5(3) . .
C16 C11 Pt1 123.9(3) . .
C10A C11A C12A 114.2(4) . .
C10B C11B C12B 113.8(5) . .
C13A C12A C11A 115.7(4) . .
C11 C12 C13 124.8(4) . .
C11 C12 F12' 116.3(5) . .
C13 C12 F12' 114.5(5) . .
C11 C12 F12 114.4(5) . .
C13 C12 F12 115.6(5) . .
F12' C12 F12 46.7(4) . .
F12' F12 C12 65.8(5) . .
F12 F12' C12 67.6(5) . .
C13B C12B C11B 114.5(5) . .
C12A C13A C14A 112.5(4) . .
C12B C13B C14B 113.5(4) . .
F13' F13 C13 67.0(6) . .
F13 F13' C13 65.2(5) . .
C14 C13 C12 120.8(4) . .
C14 C13 F13 114.7(5) . .
C12 C13 F13 118.0(5) . .
C14 C13 F13' 115.4(5) . .
C12 C13 F13' 119.1(6) . .
F13 C13 F13' 47.8(4) . .
C13B C14B P4 114.9(3) . .
C13A C14A P3 115.9(3) . .
C13 C14 C15 117.3(4) . .
C13 C14 F14 121.4(5) . .
C15 C14 F14 121.3(5) . .
F15' F15 C15 63.2(4) . .
F15 F15' C15 63.2(5) . .
C14 C15 C16 119.9(5) . .
C14 C15 F15' 113.5(6) . .
C16 C15 F15' 117.2(6) . .
C14 C15 F15 115.8(5) . .
C16 C15 F15 119.4(5) . .
F15' C15 F15 53.6(5) . .
F16' F16 C16 65.7(4) . .
F16 F16' C16 62.1(4) . .
C11 C16 C15 125.6(4) . .
C11 C16 F16 116.1(4) . .
C15 C16 F16 113.6(5) . .
C11 C16 F16' 111.1(5) . .
C15 C16 F16' 115.9(5) . .
F16 C16 F16' 52.2(4) . .
C26 C21 C22 117.5(4) . .
C26 C21 P1 120.7(3) . .
C22 C21 P1 121.8(3) . .
C23 C22 C21 121.1(4) . .
C22 C23 C24 121.1(4) . .
C25 C24 C23 117.6(4) . .
C25 C24 C27 123.6(4) . .
C23 C24 C27 118.8(4) . .
C24 C25 C26 121.6(4) . .
C25 C26 C21 121.1(4) . .
C27B C27 C24 110.2(4) . .
C27B C27 C27A 110.3(4) . .
C24 C27 C27A 107.9(4) . .
C27B C27 C27C 109.0(4) . .
C24 C27 C27C 110.8(4) . .
C27A C27 C27C 108.6(4) . .
C36 C31 C32 115.3(4) . .
C36 C31 P1 122.6(3) . .
C32 C31 P1 121.7(4) . .
C33 C32 C31 122.3(5) . .
C34 C33 C32 123.1(5) . .
C33 C34 C35 115.0(4) . .
C33 C34 C37 121.0(4) . .
C35 C34 C37 124.0(5) . .
C34 C35 C36 122.3(5) . .
C31 C36 C35 122.0(5) . .
C37A C37 C37B 105.9(8) . .
C37A C37 C34 109.5(5) . .
C37B C37 C34 113.2(5) . .
C37A C37 C37C 107.5(6) . .
C37B C37 C37C 110.5(7) . .
C34 C37 C37C 109.9(5) . .
C42 C41 C46 117.5(4) . .
C42 C41 P2 121.5(3) . .
C46 C41 P2 120.9(3) . .
C41 C42 C43 121.7(4) . .
C44 C43 C42 121.1(4) . .
C43 C44 C45 117.3(4) . .
C43 C44 C47 122.5(4) . .
C45 C44 C47 120.2(4) . .
C46 C45 C44 121.5(5) . .
C45 C46 C41 120.8(4) . .
C47B C47 C47A 110.0(6) . .
C47B C47 C44 109.1(4) . .
C47A C47 C44 110.9(4) . .
C47B C47 C47C 108.1(6) . .
C47A C47 C47C 107.4(5) . .
C44 C47 C47C 111.2(4) . .
C52 C51 C56 116.2(4) . .
C52 C51 P2 121.5(4) . .
C56 C51 P2 121.6(4) . .
C51 C52 C53 121.3(5) . .
C52 C53 C54 122.6(5) . .
C55 C54 C53 115.6(5) . .
C55 C54 C57 122.5(5) . .
C53 C54 C57 121.9(5) . .
C54 C55 C56 122.1(5) . .
C55 C56 C51 122.0(5) . .
C57B C57 C57A 110.2(6) . .
C57B C57 C54 112.5(5) . .
C57A C57 C54 108.6(4) . .
C57B C57 C57C 107.1(5) . .
C57A C57 C57C 108.1(6) . .
C54 C57 C57C 110.2(5) . .
C66 C61 C62 113.0(4) . .
C66 C61 Pt2 123.7(3) . .
C62 C61 Pt2 123.2(3) . .
F62 C62 C63 116.6(4) . .
F62 C62 C61 119.2(4) . .
C63 C62 C61 124.2(5) . .
F63 C63 C64 119.8(4) . .
F63 C63 C62 121.1(5) . .
C64 C63 C62 119.1(5) . .
F64 C64 C63 120.2(5) . .
F64 C64 C65 120.4(5) . .
C63 C64 C65 119.3(4) . .
C66 C65 F65 121.3(5) . .
C66 C65 C64 119.9(5) . .
F65 C65 C64 118.8(4) . .
C65 C66 F66 116.9(4) . .
C65 C66 C61 124.5(5) . .
F66 C66 C61 118.6(4) . .
C72 C71 C76 118.6(4) . .
C72 C71 P3 121.7(3) . .
C76 C71 P3 119.3(3) . .
C73 C72 C71 120.5(4) . .
C72 C73 C74 121.7(4) . .
C75 C74 C73 117.0(4) . .
C75 C74 C77 123.8(5) . .
C73 C74 C77 119.2(5) . .
C74 C75 C76 121.9(4) . .
C71 C76 C75 120.2(4) . .
C77A C77 C77B 111.1(6) . .
C77A C77 C74 112.0(5) . .
C77B C77 C74 110.8(4) . .
C77A C77 C77C 107.3(5) . .
C77B C77 C77C 107.9(5) . .
C74 C77 C77C 107.6(5) . .
C82 C81 C86 118.2(4) . .
C82 C81 P3 123.1(3) . .
C86 C81 P3 118.5(3) . .
C81 C82 C83 120.9(4) . .
C84 C83 C82 121.3(4) . .
C85 C84 C83 117.2(4) . .
C85 C84 C87 120.9(4) . .
C83 C84 C87 121.8(5) . .
C86 C85 C84 122.2(4) . .
C85 C86 C81 120.3(4) . .
C87A C87 C87C 114.6(7) . .
C87A C87 C84 111.2(5) . .
C87C C87 C84 113.8(5) . .
C87A C87 C87B 105.2(7) . .
C87C C87 C87B 104.3(7) . .
C84 C87 C87B 106.8(5) . .
C96 C91 C92 118.5(4) . .
C96 C91 P4 123.2(4) . .
C92 C91 P4 118.1(4) . .
C93 C92 C91 120.2(5) . .
C92 C93 C94 122.3(5) . .
C93 C94 C95 117.2(4) . .
C93 C94 C97 120.8(5) . .
C95 C94 C97 121.9(5) . .
C94 C95 C96 121.3(5) . .
C91 C96 C95 120.4(5) . .
C97B C97 C97A 107.8(6) . .
C97B C97 C97C 110.4(6) . .
C97A C97 C97C 108.0(5) . .
C97B C97 C94 111.1(5) . .
C97A C97 C94 111.5(5) . .
C97C C97 C94 108.0(4) . .
C106 C101 C102 117.1(4) . .
C106 C101 P4 121.0(4) . .
C102 C101 P4 121.8(3) . .
C103 C102 C101 121.0(4) . .
C102 C103 C104 121.7(4) . .
C105 C104 C103 116.5(4) . .
C105 C104 C107 122.8(4) . .
C103 C104 C107 120.7(4) . .
C104 C105 C106 121.7(4) . .
C101 C106 C105 121.9(5) . .
C108 C107 C110 109.4(5) . .
C108 C107 C104 112.4(4) . .
C110 C107 C104 107.2(4) . .
C108 C107 C109 107.2(4) . .
C110 C107 C109 110.0(5) . .
C104 C107 C109 110.6(4) . .
C206 C201 C202 114.6(18) . .
C206 C201 C200 100(2) . .
C202 C201 C200 143(3) . .
C201 C202 C203 135.4(19) . .
C204 C203 C202 102.2(18) . .
C203 C204 C205 123.1(18) . .
C206 C205 C204 130.2(18) . .
C205 C206 C201 111.3(19) . .
C306 C301 C302 117.3(9) . .
C306 C301 C300 118.0(12) . .
C302 C301 C300 124.7(12) . .
C301 C302 C303 121.5(10) . .
C304 C303 C302 119.1(11) . .
C303 C304 C305 119.3(10) . .
C306 C305 C304 122.5(10) . .
C305 C306 C301 120.2(10) . .
C406 C401 C402 115.8(7) . .
C406 C401 C400 125.5(9) . .
C402 C401 C400 118.6(9) . .
C403 C402 C401 120.0(8) . .
C404 C403 C402 121.9(9) . .
C403 C404 C405 119.1(9) . .
C406 C405 C404 118.7(8) . .
C405 C406 C401 124.5(8) . .
C502 C501 C506 118.5(8) . .
C502 C501 C500 122.3(9) . .
C506 C501 C500 119.2(8) . .
C501 C502 C503 123.3(9) . .
C504 C503 C502 115.6(9) . .
C503 C504 C505 121.5(10) . .
C506 C505 C504 121.1(9) . .
C505 C506 C501 119.9(8) . .
C603 C601 C600 119.9(8) . .
C603 C601 C602 120.0(6) . .
C600 C601 C602 120.1(9) . .
C603 C602 C601 119.0(6) 2_694 .
C601 C603 C602 121.0(6) . 2_694
C701 C700 C702 54.7(7) . .
C706 C701 C702 123.3(19) . .
C706 C701 C700 167(2) . .
C702 C701 C700 68.8(11) . .
C703 C702 C701 109.6(17) . .
C703 C702 C700 163.4(17) . .
C701 C702 C700 56.5(8) . .
C702 C703 C704 124(2) . .
C705 C704 C703 122(2) . .
C706 C705 C704 119(2) . .
C705 C706 C701 120(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 1.988(4) .
Pt1 C11 2.053(4) .
Pt1 P2 2.2985(12) .
Pt1 P1 2.2996(12) .
Pt1 Pt2 12.8867(3) .
P1 C21 1.817(4) .
P1 C31 1.816(4) .
P1 C1A 1.838(4) .
C1 C2 1.205(6) .
C1B C2B 1.524(6) .
C1B P2 1.824(4) .
C1A C2A 1.532(6) .
Pt2 C8 1.983(4) .
Pt2 C61 2.056(4) .
Pt2 P4 2.2955(11) .
Pt2 P3 2.3006(11) .
P2 C51 1.824(4) .
P2 C41 1.828(4) .
C2 C3 1.369(6) .
C2A C3A 1.517(6) .
C2B C3B 1.534(6) .
P3 C81 1.814(4) .
P3 C14A 1.825(4) .
P3 C71 1.832(4) .
C3 C4 1.206(6) .
C3A C4A 1.523(6) .
C3B C4B 1.519(7) .
P4 C91 1.816(4) .
P4 C101 1.820(4) .
P4 C14B 1.823(5) .
C4 C5 1.360(6) .
C4A C5A 1.513(7) .
C4B C5B 1.520(7) .
C5 C6 1.209(6) .
C5A C6A 1.512(6) .
C5B C6B 1.519(6) .
C6 C7 1.356(6) .
C6A C7A 1.516(7) .
C6B C7B 1.509(7) .
C7 C8 1.220(6) .
C7A C8A 1.521(6) .
C7B C8B 1.524(7) .
C8A C9A 1.505(7) .
C8B C9B 1.501(7) .
C9A C10A 1.525(6) .
C9B C10B 1.521(7) .
C10A C11A 1.519(7) .
C10B C11B 1.506(7) .
C11 C12 1.341(6) .
C11 C16 1.347(6) .
C11A C12A 1.526(6) .
C11B C12B 1.531(7) .
C12A C13A 1.520(6) .
C12 C13 1.391(7) .
C12 F12' 1.430(7) .
C12 F12 1.449(7) .
F12 F12' 1.141(9) .
C12B C13B 1.525(7) .
C13A C14A 1.528(6) .
C13B C14B 1.533(6) .
F13 F13' 1.168(10) .
F13 C13 1.433(7) .
F13' C13 1.453(7) .
C13 C14 1.326(7) .
F14 C14 1.340(5) .
C14 C15 1.333(7) .
F15 F15' 1.307(10) .
F15 C15 1.450(7) .
F15' C15 1.449(8) .
C15 C16 1.386(7) .
F16 F16' 1.293(9) .
F16 C16 1.445(7) .
F16' C16 1.490(7) .
C21 C26 1.390(6) .
C21 C22 1.397(6) .
C22 C23 1.379(6) .
C23 C24 1.403(6) .
C24 C25 1.373(6) .
C24 C27 1.538(6) .
C25 C26 1.386(6) .
C27 C27B 1.518(7) .
C27 C27A 1.546(7) .
C27 C27C 1.553(7) .
C31 C36 1.352(7) .
C31 C32 1.365(6) .
C32 C33 1.362(7) .
C33 C34 1.353(7) .
C34 C35 1.359(7) .
C34 C37 1.524(6) .
C35 C36 1.389(7) .
C37 C37A 1.473(9) .
C37 C37B 1.479(9) .
C37 C37C 1.527(9) .
C41 C42 1.373(6) .
C41 C46 1.386(6) .
C42 C43 1.381(6) .
C43 C44 1.378(6) .
C44 C45 1.388(6) .
C44 C47 1.544(6) .
C45 C46 1.380(7) .
C47 C47B 1.497(8) .
C47 C47A 1.527(8) .
C47 C47C 1.549(8) .
C51 C52 1.362(6) .
C51 C56 1.374(7) .
C52 C53 1.369(7) .
C53 C54 1.380(7) .
C54 C55 1.353(8) .
C54 C57 1.527(7) .
C55 C56 1.371(7) .
C57 C57B 1.525(9) .
C57 C57A 1.525(8) .
C57 C57C 1.538(9) .
C61 C66 1.391(6) .
C61 C62 1.394(6) .
F62 C62 1.357(5) .
C62 C63 1.374(6) .
F63 C63 1.348(6) .
C63 C64 1.366(8) .
F64 C64 1.361(5) .
C64 C65 1.372(8) .
F65 C65 1.361(6) .
C65 C66 1.348(6) .
F66 C66 1.360(5) .
C71 C72 1.388(6) .
C71 C76 1.390(6) .
C72 C73 1.373(6) .
C73 C74 1.405(7) .
C74 C75 1.380(7) .
C74 C77 1.542(7) .
C75 C76 1.388(6) .
C77 C77A 1.485(8) .
C77 C77B 1.495(8) .
C77 C77C 1.569(8) .
C81 C82 1.380(6) .
C81 C86 1.394(6) .
C82 C83 1.389(6) .
C83 C84 1.388(7) .
C84 C85 1.381(7) .
C84 C87 1.541(7) .
C85 C86 1.378(6) .
C87 C87A 1.471(9) .
C87 C87C 1.474(9) .
C87 C87B 1.586(11) .
C91 C96 1.385(6) .
C91 C92 1.397(7) .
C92 C93 1.375(6) .
C93 C94 1.388(7) .
C94 C95 1.388(7) .
C94 C97 1.536(6) .
C95 C96 1.398(6) .
C97 C97B 1.507(9) .
C97 C97A 1.511(8) .
C97 C97C 1.521(8) .
C101 C106 1.369(6) .
C101 C102 1.385(6) .
C102 C103 1.383(6) .
C103 C104 1.394(6) .
C104 C105 1.369(7) .
C104 C107 1.536(6) .
C105 C106 1.385(7) .
C107 C108 1.508(7) .
C107 C110 1.523(7) .
C107 C109 1.539(8) .
C200 C201 1.436(14) .
C201 C206 1.353(14) .
C201 C202 1.365(14) .
C202 C203 1.423(15) .
C203 C204 1.331(14) .
C204 C205 1.416(15) .
C205 C206 1.295(15) .
C300 C301 1.469(10) .
C301 C306 1.371(10) .
C301 C302 1.379(10) .
C302 C303 1.409(11) .
C303 C304 1.317(10) .
C304 C305 1.381(10) .
C305 C306 1.339(10) .
C400 C401 1.452(8) .
C401 C406 1.356(9) .
C401 C402 1.376(9) .
C402 C403 1.376(10) .
C403 C404 1.326(11) .
C404 C405 1.367(10) .
C405 C406 1.341(9) .
C500 C501 1.442(9) .
C501 C502 1.358(9) .
C501 C506 1.378(9) .
C502 C503 1.414(10) .
C503 C504 1.341(10) .
C504 C505 1.408(10) .
C505 C506 1.325(9) .
C600 C601 1.360(10) .
C601 C603 1.362(8) .
C601 C602 1.383(8) .
C602 C603 1.381(9) 2_694
C603 C602 1.381(9) 2_694
C700 C701 1.495(13) .
C700 C702 1.67(2) .
C701 C706 1.311(13) .
C701 C702 1.464(13) .
C702 C703 1.323(13) .
C703 C704 1.328(13) .
C704 C705 1.322(13) .
C705 C706 1.279(13) .
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_4
C1 Pt1 P1 C21 -62.52(19) .
C11 Pt1 P1 C21 117.51(19) .
P2 Pt1 P1 C21 -59.8(6) .
Pt2 Pt1 P1 C21 -62.77(15) .
C1 Pt1 P1 C31 176.2(2) .
C11 Pt1 P1 C31 -3.8(2) .
P2 Pt1 P1 C31 179(100) .
Pt2 Pt1 P1 C31 175.94(16) .
C1 Pt1 P1 C1A 54.0(2) .
C11 Pt1 P1 C1A -125.93(19) .
P2 Pt1 P1 C1A 56.8(6) .
Pt2 Pt1 P1 C1A 53.79(15) .
C11 Pt1 C1 C2 144(33) .
P2 Pt1 C1 C2 -40(35) .
P1 Pt1 C1 C2 140(35) .
Pt2 Pt1 C1 C2 146(37) .
C21 P1 C1A C2A 164.7(3) .
C31 P1 C1A C2A -85.3(4) .
Pt1 P1 C1A C2A 41.8(4) .
C1 Pt1 Pt2 C8 15(4) .
C11 Pt1 Pt2 C8 -165(4) .
P2 Pt1 Pt2 C8 9(3) .
P1 Pt1 Pt2 C8 -171(3) .
C1 Pt1 Pt2 C61 155(4) .
C11 Pt1 Pt2 C61 -26(4) .
P2 Pt1 Pt2 C61 149(3) .
P1 Pt1 Pt2 C61 -31(3) .
C1 Pt1 Pt2 P4 173(3) .
C11 Pt1 Pt2 P4 -7(2) .
P2 Pt1 Pt2 P4 167.25(4) .
P1 Pt1 Pt2 P4 -12.97(4) .
C1 Pt1 Pt2 P3 -8(3) .
C11 Pt1 Pt2 P3 172(2) .
P2 Pt1 Pt2 P3 -13.72(4) .
P1 Pt1 Pt2 P3 166.06(4) .
C2B C1B P2 C51 -82.6(4) .
C2B C1B P2 C41 166.8(3) .
C2B C1B P2 Pt1 43.5(4) .
C1 Pt1 P2 C51 177.0(2) .
C11 Pt1 P2 C51 -3.0(2) .
P1 Pt1 P2 C51 174.3(5) .
Pt2 Pt1 P2 C51 177.26(17) .
C1 Pt1 P2 C1B 54.80(19) .
C11 Pt1 P2 C1B -125.23(19) .
P1 Pt1 P2 C1B 52.1(6) .
Pt2 Pt1 P2 C1B 55.04(15) .
C1 Pt1 P2 C41 -62.03(19) .
C11 Pt1 P2 C41 117.94(19) .
P1 Pt1 P2 C41 -64.8(6) .
Pt2 Pt1 P2 C41 -61.79(15) .
Pt1 C1 C2 C3 -179(100) .
P1 C1A C2A C3A 178.3(3) .
P2 C1B C2B C3B -179.4(3) .
C8 Pt2 P3 C81 178.67(19) .
C61 Pt2 P3 C81 0.35(19) .
P4 Pt2 P3 C81 -168.8(5) .
Pt1 Pt2 P3 C81 179.52(15) .
C8 Pt2 P3 C14A 56.40(19) .
C61 Pt2 P3 C14A -121.93(19) .
P4 Pt2 P3 C14A 69.0(5) .
Pt1 Pt2 P3 C14A 57.25(15) .
C8 Pt2 P3 C71 -58.54(19) .
C61 Pt2 P3 C71 123.14(19) .
P4 Pt2 P3 C71 -46.0(5) .
Pt1 Pt2 P3 C71 -57.69(15) .
C1 C2 C3 C4 -109(100) .
C1A C2A C3A C4A 66.8(6) .
C1B C2B C3B C4B 64.9(6) .
C8 Pt2 P4 C91 176.6(2) .
C61 Pt2 P4 C91 -5.1(2) .
P3 Pt2 P4 C91 164.0(5) .
Pt1 Pt2 P4 C91 175.76(18) .
C8 Pt2 P4 C101 -62.0(2) .
C61 Pt2 P4 C101 116.3(2) .
P3 Pt2 P4 C101 -74.6(5) .
Pt1 Pt2 P4 C101 -62.81(16) .
C8 Pt2 P4 C14B 55.6(2) .
C61 Pt2 P4 C14B -126.1(2) .
P3 Pt2 P4 C14B 43.0(5) .
Pt1 Pt2 P4 C14B 54.77(16) .
C2 C3 C4 C5 138(100) .
C2A C3A C4A C5A 63.9(6) .
C2B C3B C4B C5B 64.4(6) .
C3 C4 C5 C6 -5(31) .
C3A C4A C5A C6A 169.8(4) .
C3B C4B C5B C6B 174.9(4) .
C4 C5 C6 C7 74(26) .
C4A C5A C6A C7A 173.1(4) .
C4B C5B C6B C7B 179.2(4) .
C5 C6 C7 C8 46(56) .
C5A C6A C7A C8A -178.5(4) .
C5B C6B C7B C8B -178.7(4) .
C6 C7 C8 Pt2 142(37) .
C61 Pt2 C8 C7 30(34) .
P4 Pt2 C8 C7 100(31) .
P3 Pt2 C8 C7 -81(31) .
Pt1 Pt2 C8 C7 122(33) .
C6A C7A C8A C9A 170.2(4) .
C6B C7B C8B C9B 170.6(5) .
C7A C8A C9A C10A 179.6(4) .
C7B C8B C9B C10B 178.6(5) .
C8A C9A C10A C11A 178.7(4) .
C8B C9B C10B C11B 177.7(5) .
C1 Pt1 C11 C12 90(19) .
P2 Pt1 C11 C12 -87.1(5) .
P1 Pt1 C11 C12 93.1(5) .
Pt2 Pt1 C11 C12 88(2) .
C1 Pt1 C11 C16 -87(19) .
P2 Pt1 C11 C16 96.8(5) .
P1 Pt1 C11 C16 -83.0(5) .
Pt2 Pt1 C11 C16 -89(2) .
C9A C10A C11A C12A 178.0(4) .
C9B C10B C11B C12B 173.2(5) .
C10A C11A C12A C13A 65.9(5) .
C16 C11 C12 C13 -0.7(9) .
Pt1 C11 C12 C13 -177.3(5) .
C16 C11 C12 F12' -155.7(6) .
Pt1 C11 C12 F12' 27.8(8) .
C16 C11 C12 F12 152.4(7) .
Pt1 C11 C12 F12 -24.2(8) .
C11 C12 F12 F12' 103.9(7) .
C13 C12 F12 F12' -100.4(7) .
C11 C12 F12' F12 -99.7(7) .
C13 C12 F12' F12 102.8(7) .
C10B C11B C12B C13B 62.7(7) .
C11A C12A C13A C14A 63.3(5) .
C11B C12B C13B C14B 63.4(6) .
C11 C12 C13 C14 0.6(11) .
F12' C12 C13 C14 155.9(6) .
F12 C12 C13 C14 -152.2(7) .
C11 C12 C13 F13 151.0(8) .
F12' C12 C13 F13 -53.6(10) .
F12 C12 C13 F13 -1.8(11) .
C11 C12 C13 F13' -154.1(6) .
F12' C12 C13 F13' 1.3(9) .
F12 C12 C13 F13' 53.1(10) .
F13' F13 C13 C14 -102.7(8) .
F13' F13 C13 C12 105.2(8) .
F13 F13' C13 C14 101.2(8) .
F13 F13' C13 C12 -102.8(8) .
C12B C13B C14B P4 175.4(4) .
C91 P4 C14B C13B -84.6(4) .
C101 P4 C14B C13B 166.3(3) .
Pt2 P4 C14B C13B 42.1(4) .
C12A C13A C14A P3 -179.8(3) .
C81 P3 C14A C13A -83.3(3) .
C71 P3 C14A C13A 167.2(3) .
Pt2 P3 C14A C13A 42.9(3) .
C12 C13 C14 C15 0.1(10) .
F13 C13 C14 C15 -151.3(8) .
F13' C13 C14 C15 155.7(7) .
C12 C13 C14 F14 179.4(6) .
F13 C13 C14 F14 28.0(10) .
F13' C13 C14 F14 -25.1(9) .
C13 C14 C15 C16 -0.6(11) .
F14 C14 C15 C16 -179.9(6) .
C13 C14 C15 F15' -146.0(7) .
F14 C14 C15 F15' 34.7(10) .
C13 C14 C15 F15 154.5(7) .
F14 C14 C15 F15 -24.8(9) .
F15 F15' C15 C14 -105.7(7) .
F15 F15' C15 C16 107.9(7) .
F15' F15 C15 C14 101.2(7) .
F15' F15 C15 C16 -103.6(8) .
C12 C11 C16 C15 0.2(10) .
Pt1 C11 C16 C15 176.8(6) .
C12 C11 C16 F16 -154.0(6) .
Pt1 C11 C16 F16 22.6(8) .
C12 C11 C16 F16' 148.8(6) .
Pt1 C11 C16 F16' -34.6(8) .
C14 C15 C16 C11 0.5(12) .
F15' C15 C16 C11 144.7(8) .
F15 C15 C16 C11 -153.8(7) .
C14 C15 C16 F16 155.2(7) .
F15' C15 C16 F16 -60.6(10) .
F15 C15 C16 F16 1.0(10) .
C14 C15 C16 F16' -146.9(7) .
F15' C15 C16 F16' -2.6(11) .
F15 C15 C16 F16' 58.9(10) .
F16' F16 C16 C11 -97.3(6) .
F16' F16 C16 C15 105.4(7) .
F16 F16' C16 C11 107.3(6) .
F16 F16' C16 C15 -100.7(7) .
C31 P1 C21 C26 132.2(4) .
C1A P1 C21 C26 -116.3(4) .
Pt1 P1 C21 C26 4.9(4) .
C31 P1 C21 C22 -51.3(4) .
C1A P1 C21 C22 60.3(4) .
Pt1 P1 C21 C22 -178.5(3) .
C26 C21 C22 C23 1.1(7) .
P1 C21 C22 C23 -175.6(4) .
C21 C22 C23 C24 -0.7(7) .
C22 C23 C24 C25 -0.1(7) .
C22 C23 C24 C27 -179.2(4) .
C23 C24 C25 C26 0.5(7) .
C27 C24 C25 C26 179.5(4) .
C24 C25 C26 C21 -0.1(7) .
C22 C21 C26 C25 -0.7(6) .
P1 C21 C26 C25 176.0(3) .
C25 C24 C27 C27B -121.8(5) .
C23 C24 C27 C27B 57.1(6) .
C25 C24 C27 C27A 117.7(5) .
C23 C24 C27 C27A -63.3(5) .
C25 C24 C27 C27C -1.1(6) .
C23 C24 C27 C27C 177.9(4) .
C21 P1 C31 C36 -36.1(5) .
C1A P1 C31 C36 -145.2(5) .
Pt1 P1 C31 C36 90.1(5) .
C21 P1 C31 C32 151.4(5) .
C1A P1 C31 C32 42.3(5) .
Pt1 P1 C31 C32 -82.4(5) .
C36 C31 C32 C33 0.7(10) .
P1 C31 C32 C33 173.7(6) .
C31 C32 C33 C34 0.1(13) .
C32 C33 C34 C35 -1.1(11) .
C32 C33 C34 C37 -179.8(7) .
C33 C34 C35 C36 1.4(11) .
C37 C34 C35 C36 -179.9(6) .
C32 C31 C36 C35 -0.4(10) .
P1 C31 C36 C35 -173.3(6) .
C34 C35 C36 C31 -0.7(12) .
C33 C34 C37 C37A -63.4(9) .
C35 C34 C37 C37A 117.9(8) .
C33 C34 C37 C37B 178.6(8) .
C35 C34 C37 C37B -0.1(10) .
C33 C34 C37 C37C 54.5(8) .
C35 C34 C37 C37C -124.1(7) .
C51 P2 C41 C42 131.3(4) .
C1B P2 C41 C42 -116.3(4) .
Pt1 P2 C41 C42 5.3(4) .
C51 P2 C41 C46 -52.8(4) .
C1B P2 C41 C46 59.7(4) .
Pt1 P2 C41 C46 -178.7(3) .
C46 C41 C42 C43 -0.1(7) .
P2 C41 C42 C43 176.0(4) .
C41 C42 C43 C44 -0.1(7) .
C42 C43 C44 C45 0.2(7) .
C42 C43 C44 C47 -179.4(4) .
C43 C44 C45 C46 -0.2(8) .
C47 C44 C45 C46 179.5(5) .
C44 C45 C46 C41 0.0(8) .
C42 C41 C46 C45 0.2(7) .
P2 C41 C46 C45 -176.0(4) .
C43 C44 C47 C47B 109.4(6) .
C45 C44 C47 C47B -70.3(7) .
C43 C44 C47 C47A -129.3(6) .
C45 C44 C47 C47A 51.0(7) .
C43 C44 C47 C47C -9.8(7) .
C45 C44 C47 C47C 170.5(5) .
C1B P2 C51 C52 -149.7(4) .
C41 P2 C51 C52 -40.2(5) .
Pt1 P2 C51 C52 85.7(5) .
C1B P2 C51 C56 40.3(5) .
C41 P2 C51 C56 149.8(5) .
Pt1 P2 C51 C56 -84.3(5) .
C56 C51 C52 C53 0.7(9) .
P2 C51 C52 C53 -169.8(5) .
C51 C52 C53 C54 -0.3(11) .
C52 C53 C54 C55 -2.0(10) .
C52 C53 C54 C57 177.9(6) .
C53 C54 C55 C56 3.9(11) .
C57 C54 C55 C56 -176.0(6) .
C54 C55 C56 C51 -3.7(12) .
C52 C51 C56 C55 1.2(10) .
P2 C51 C56 C55 171.6(6) .
C55 C54 C57 C57B -19.0(9) .
C53 C54 C57 C57B 161.1(6) .
C55 C54 C57 C57A 103.3(7) .
C53 C54 C57 C57A -76.6(8) .
C55 C54 C57 C57C -138.4(7) .
C53 C54 C57 C57C 41.7(7) .
C8 Pt2 C61 C66 141(6) .
P4 Pt2 C61 C66 71.2(4) .
P3 Pt2 C61 C66 -107.9(4) .
Pt1 Pt2 C61 C66 90(3) .
C8 Pt2 C61 C62 -36(6) .
P4 Pt2 C61 C62 -105.4(4) .
P3 Pt2 C61 C62 75.5(4) .
Pt1 Pt2 C61 C62 -87(3) .
C66 C61 C62 F62 -178.6(4) .
Pt2 C61 C62 F62 -1.6(6) .
C66 C61 C62 C63 1.1(7) .
Pt2 C61 C62 C63 178.1(4) .
F62 C62 C63 F63 -0.5(7) .
C61 C62 C63 F63 179.8(4) .
F62 C62 C63 C64 178.9(4) .
C61 C62 C63 C64 -0.8(8) .
F63 C63 C64 F64 0.6(8) .
C62 C63 C64 F64 -178.8(5) .
F63 C63 C64 C65 179.1(5) .
C62 C63 C64 C65 -0.3(8) .
F64 C64 C65 C66 179.5(4) .
C63 C64 C65 C66 1.0(8) .
F64 C64 C65 F65 0.0(8) .
C63 C64 C65 F65 -178.5(5) .
F65 C65 C66 F66 -1.3(7) .
C64 C65 C66 F66 179.3(4) .
F65 C65 C66 C61 178.8(4) .
C64 C65 C66 C61 -0.6(8) .
C62 C61 C66 C65 -0.4(7) .
Pt2 C61 C66 C65 -177.4(4) .
C62 C61 C66 F66 179.7(4) .
Pt2 C61 C66 F66 2.7(6) .
C81 P3 C71 C72 148.8(4) .
C14A P3 C71 C72 -99.1(4) .
Pt2 P3 C71 C72 20.8(4) .
C81 P3 C71 C76 -38.0(4) .
C14A P3 C71 C76 74.1(4) .
Pt2 P3 C71 C76 -166.0(3) .
C76 C71 C72 C73 -2.3(7) .
P3 C71 C72 C73 170.9(3) .
C71 C72 C73 C74 0.6(7) .
C72 C73 C74 C75 1.2(7) .
C72 C73 C74 C77 -179.6(5) .
C73 C74 C75 C76 -1.3(7) .
C77 C74 C75 C76 179.6(5) .
C72 C71 C76 C75 2.2(7) .
P3 C71 C76 C75 -171.2(4) .
C74 C75 C76 C71 -0.4(7) .
C75 C74 C77 C77A -2.0(8) .
C73 C74 C77 C77A 178.8(5) .
C75 C74 C77 C77B -126.6(6) .
C73 C74 C77 C77B 54.2(7) .
C75 C74 C77 C77C 115.7(6) .
C73 C74 C77 C77C -63.5(6) .
C14A P3 C81 C82 15.3(4) .
C71 P3 C81 C82 122.7(4) .
Pt2 P3 C81 C82 -108.2(4) .
C14A P3 C81 C86 -170.1(3) .
C71 P3 C81 C86 -62.8(4) .
Pt2 P3 C81 C86 66.3(4) .
C86 C81 C82 C83 -1.7(7) .
P3 C81 C82 C83 172.9(4) .
C81 C82 C83 C84 0.9(8) .
C82 C83 C84 C85 0.2(8) .
C82 C83 C84 C87 -178.5(5) .
C83 C84 C85 C86 -0.6(8) .
C87 C84 C85 C86 178.1(5) .
C84 C85 C86 C81 -0.1(8) .
C82 C81 C86 C85 1.3(7) .
P3 C81 C86 C85 -173.6(4) .
C85 C84 C87 C87A 49.8(9) .
C83 C84 C87 C87A -131.5(7) .
C85 C84 C87 C87C -178.9(7) .
C83 C84 C87 C87C -0.2(10) .
C85 C84 C87 C87B -64.4(8) .
C83 C84 C87 C87B 114.3(7) .
C101 P4 C91 C96 130.4(4) .
C14B P4 C91 C96 21.0(4) .
Pt2 P4 C91 C96 -102.2(4) .
C101 P4 C91 C92 -55.4(4) .
C14B P4 C91 C92 -164.9(4) .
Pt2 P4 C91 C92 71.9(4) .
C96 C91 C92 C93 0.4(7) .
P4 C91 C92 C93 -174.0(4) .
C91 C92 C93 C94 0.9(8) .
C92 C93 C94 C95 -1.6(7) .
C92 C93 C94 C97 -179.6(5) .
C93 C94 C95 C96 1.1(7) .
C97 C94 C95 C96 179.1(4) .
C92 C91 C96 C95 -0.9(6) .
P4 C91 C96 C95 173.2(3) .
C94 C95 C96 C91 0.1(7) .
C93 C94 C97 C97B -156.7(6) .
C95 C94 C97 C97B 25.4(8) .
C93 C94 C97 C97A -36.4(7) .
C95 C94 C97 C97A 145.7(5) .
C93 C94 C97 C97C 82.1(7) .
C95 C94 C97 C97C -95.7(6) .
C91 P4 C101 C106 -41.5(5) .
C14B P4 C101 C106 69.5(5) .
Pt2 P4 C101 C106 -169.4(4) .
C91 P4 C101 C102 141.8(4) .
C14B P4 C101 C102 -107.1(4) .
Pt2 P4 C101 C102 13.9(4) .
C106 C101 C102 C103 -3.8(7) .
P4 C101 C102 C103 173.0(4) .
C101 C102 C103 C104 0.1(8) .
C102 C103 C104 C105 3.4(7) .
C102 C103 C104 C107 -175.5(5) .
C103 C104 C105 C106 -3.3(8) .
C107 C104 C105 C106 175.7(5) .
C102 C101 C106 C105 4.0(8) .
P4 C101 C106 C105 -172.8(5) .
C104 C105 C106 C101 -0.4(9) .
C105 C104 C107 C108 12.3(7) .
C103 C104 C107 C108 -168.8(5) .
C105 C104 C107 C110 -107.9(6) .
C103 C104 C107 C110 71.0(6) .
C105 C104 C107 C109 132.2(6) .
C103 C104 C107 C109 -49.0(6) .
C206 C201 C202 C203 23(3) .
C200 C201 C202 C203 -177(2) .
C201 C202 C203 C204 -15(3) .
C202 C203 C204 C205 5(2) .
C203 C204 C205 C206 -6(3) .
C204 C205 C206 C201 11(3) .
C202 C201 C206 C205 -16(2) .
C200 C201 C206 C205 175.6(16) .
C306 C301 C302 C303 -1.1(13) .
C300 C301 C302 C303 -178.2(8) .
C301 C302 C303 C304 0.7(14) .
C302 C303 C304 C305 -0.3(13) .
C303 C304 C305 C306 0.4(14) .
C304 C305 C306 C301 -0.8(13) .
C302 C301 C306 C305 1.1(12) .
C300 C301 C306 C305 178.4(7) .
C406 C401 C402 C403 1.2(13) .
C400 C401 C402 C403 179.0(9) .
C401 C402 C403 C404 -2.8(16) .
C402 C403 C404 C405 3.1(16) .
C403 C404 C405 C406 -1.7(14) .
C404 C405 C406 C401 0.2(13) .
C402 C401 C406 C405 0.1(12) .
C400 C401 C406 C405 -177.6(8) .
C506 C501 C502 C503 1.2(12) .
C500 C501 C502 C503 179.4(8) .
C501 C502 C503 C504 -0.2(13) .
C502 C503 C504 C505 -0.4(13) .
C503 C504 C505 C506 -0.1(12) .
C504 C505 C506 C501 1.1(11) .
C502 C501 C506 C505 -1.7(11) .
C500 C501 C506 C505 -179.9(7) .
C603 C601 C602 C603 1.1(10) 2_694
C600 C601 C602 C603 178.3(7) 2_694
C600 C601 C603 C602 -178.3(7) 2_694
C602 C601 C603 C602 -1.1(10) 2_694
C702 C700 C701 C706 163(6) .
C706 C701 C702 C703 15(2) .
C700 C701 C702 C703 -169.8(13) .
C706 C701 C702 C700 -175.5(16) .
C701 C700 C702 C703 36(5) .
C701 C702 C703 C704 -6(2) .
C700 C702 C703 C704 -37(6) .
C702 C703 C704 C705 -2(3) .
C703 C704 C705 C706 3(3) .
C704 C705 C706 C701 5(3) .
C702 C701 C706 C705 -15(3) .
C700 C701 C706 C705 -175(5) .
