#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/96/4109600.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_4109600
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            'C106.5 H108 F10 P4 Pt2'
_chemical_formula_weight         2087.96
_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                92.48(3)
_cell_angle_beta                 104.45(3)
_cell_angle_gamma                101.24(3)
_cell_formula_units_Z            2
_cell_length_a                   15.217(3)
_cell_length_b                   17.213(3)
_cell_length_c                   18.597(4)
_cell_measurement_reflns_used    31252
_cell_measurement_temperature    173(2)
_cell_volume                     4604.8(18)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31149
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    3.173
_exptl_absorpt_correction_T_max  0.5695
_exptl_absorpt_correction_T_min  0.4495
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_description       block
_exptl_crystal_F_000             2098
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.180
_refine_diff_density_min         -1.568
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.910
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1089
_refine_ls_number_reflns         21068
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.910
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.095
_refine_ls_shift/su_mean         0.065
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0390P)²+23.9689P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                16973
_reflns_number_total             21068
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0716103si20070411_100718.cif
_cod_data_source_block           js02_3
_cod_original_cell_volume        4604.8(16)
_cod_original_formula_sum        'C106.50 H108 F10 P4 Pt2'
_cod_database_code               4109600
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 0.419967(11) 0.140385(9) 0.185535(9) 0.02315(5) Uani 1 1 d .
P1' P 0.38670(8) 0.16294(7) 0.06190(7) 0.0268(2) Uani 1 1 d .
P1 P 0.45248(8) 0.12682(7) 0.31142(7) 0.0265(2) Uani 1 1 d .
C1 C 0.5412(3) 0.2174(3) 0.2081(3) 0.0291(9) Uani 1 1 d .
Pt2 Pt 1.211217(11) 0.600504(9) 0.262885(9) 0.02251(5) Uani 1 1 d .
P2 P 1.13649(8) 0.55024(7) 0.14135(6) 0.0239(2) Uani 1 1 d .
P2' P 1.27308(8) 0.63867(7) 0.38787(6) 0.0251(2) Uani 1 1 d .
C2 C 0.6176(3) 0.2613(3) 0.2251(3) 0.0327(10) Uani 1 1 d .
C3 C 0.7030(3) 0.3114(3) 0.2429(3) 0.0350(11) Uani 1 1 d .
C4 C 0.7786(3) 0.3562(3) 0.2569(3) 0.0364(11) Uani 1 1 d .
C5 C 0.8628(3) 0.4069(3) 0.2703(3) 0.0361(11) Uani 1 1 d .
C6 C 0.9375(3) 0.4510(3) 0.2788(3) 0.0330(10) Uani 1 1 d .
C7 C 1.0212(3) 0.5000(3) 0.2849(3) 0.0308(10) Uani 1 1 d .
C8 C 1.0943(3) 0.5413(3) 0.2822(3) 0.0274(9) Uani 1 1 d .
C11 C 0.4879(3) 0.2246(3) 0.3653(3) 0.0333(10) Uani 1 1 d .
H11A H 0.4845 0.2175 0.4172 0.040 Uiso 1 1 calc R
H11B H 0.5535 0.2472 0.3670 0.040 Uiso 1 1 calc R
C11' C 0.4498(3) 0.1213(3) 0.0039(3) 0.0366(11) Uani 1 1 d .
H11C H 0.4378 0.0629 0.0057 0.044 Uiso 1 1 calc R
H11D H 0.4244 0.1317 -0.0483 0.044 Uiso 1 1 calc R
C12 C 0.4288(4) 0.2847(3) 0.3341(3) 0.0413(12) Uani 1 1 d .
H12A H 0.4146 0.2785 0.2790 0.050 Uiso 1 1 calc R
H12B H 0.3691 0.2715 0.3478 0.050 Uiso 1 1 calc R
C12' C 0.5554(4) 0.1534(3) 0.0256(3) 0.0392(12) Uani 1 1 d .
H12C H 0.5783 0.1487 -0.0194 0.047 Uiso 1 1 calc R
H12D H 0.5684 0.2106 0.0431 0.047 Uiso 1 1 calc R
C13 C 0.4749(4) 0.3722(3) 0.3619(4) 0.0486(14) Uani 1 1 d .
H13A H 0.4294 0.4056 0.3435 0.058 Uiso 1 1 calc R
H13B H 0.4904 0.3781 0.4171 0.058 Uiso 1 1 calc R
C13' C 0.6093(3) 0.1105(3) 0.0863(3) 0.0386(12) Uani 1 1 d .
H13C H 0.5820 0.1101 0.1294 0.046 Uiso 1 1 calc R
H13D H 0.6021 0.0546 0.0668 0.046 Uiso 1 1 calc R
C14 C 0.5614(4) 0.4031(3) 0.3380(4) 0.0479(14) Uani 1 1 d .
H14A H 0.5478 0.3913 0.2833 0.057 Uiso 1 1 calc R
H14B H 0.6096 0.3741 0.3615 0.057 Uiso 1 1 calc R
C14' C 0.7115(3) 0.1483(3) 0.1128(3) 0.0377(11) Uani 1 1 d .
H14C H 0.7419 0.1373 0.0733 0.045 Uiso 1 1 calc R
H14D H 0.7190 0.2067 0.1210 0.045 Uiso 1 1 calc R
C15 C 0.6008(4) 0.4929(3) 0.3579(4) 0.0487(14) Uani 1 1 d .
H15A H 0.5540 0.5227 0.3334 0.058 Uiso 1 1 calc R
H15B H 0.6145 0.5055 0.4125 0.058 Uiso 1 1 calc R
C15' C 0.7589(4) 0.1184(3) 0.1834(3) 0.0410(12) Uani 1 1 d .
H15C H 0.7544 0.0605 0.1740 0.049 Uiso 1 1 calc R
H15D H 0.7254 0.1261 0.2216 0.049 Uiso 1 1 calc R
C16 C 0.6889(5) 0.5186(4) 0.3330(4) 0.0586(17) Uani 1 1 d .
H16A H 0.6735 0.5081 0.2780 0.070 Uiso 1 1 calc R
H16B H 0.7332 0.4853 0.3546 0.070 Uiso 1 1 calc R
C16' C 0.8602(4) 0.1585(3) 0.2145(3) 0.0427(12) Uani 1 1 d .
H16C H 0.8667 0.2169 0.2163 0.051 Uiso 1 1 calc R
H16D H 0.8965 0.1428 0.1810 0.051 Uiso 1 1 calc R
C17 C 0.7365(5) 0.6053(4) 0.3545(4) 0.0548(16) Uani 1 1 d .
H17A H 0.7538 0.6157 0.4095 0.066 Uiso 1 1 calc R
H17B H 0.6921 0.6388 0.3338 0.066 Uiso 1 1 calc R
C17' C 0.8993(4) 0.1353(4) 0.2935(4) 0.0539(15) Uani 1 1 d .
H17C H 0.8669 0.1564 0.3274 0.065 Uiso 1 1 calc R
H17D H 0.8846 0.0765 0.2921 0.065 Uiso 1 1 calc R
C18 C 0.8234(4) 0.6292(4) 0.3267(4) 0.0530(15) Uani 1 1 d .
H18A H 0.8565 0.6835 0.3494 0.064 Uiso 1 1 calc R
H18B H 0.8653 0.5924 0.3435 0.064 Uiso 1 1 calc R
C18' C 1.0035(5) 0.1646(4) 0.3262(4) 0.0576(16) Uani 1 1 d .
H18C H 1.0217 0.1438 0.3754 0.069 Uiso 1 1 calc R
H18D H 1.0363 0.1425 0.2932 0.069 Uiso 1 1 calc R
C19 C 0.8016(4) 0.6279(4) 0.2423(4) 0.0528(15) Uani 1 1 d .
H19A H 0.7523 0.6580 0.2251 0.063 Uiso 1 1 calc R
H19B H 0.7770 0.5721 0.2201 0.063 Uiso 1 1 calc R
C19' C 1.0347(4) 0.2539(4) 0.3360(4) 0.0494(14) Uani 1 1 d .
H19C H 0.9957 0.2766 0.3631 0.059 Uiso 1 1 calc R
H19D H 1.0247 0.2742 0.2863 0.059 Uiso 1 1 calc R
C20 C 0.8851(4) 0.6630(3) 0.2141(3) 0.0438(13) Uani 1 1 d .
H20A H 0.9057 0.7204 0.2314 0.053 Uiso 1 1 calc R
H20B H 0.9368 0.6367 0.2351 0.053 Uiso 1 1 calc R
C20' C 1.1371(4) 0.2829(3) 0.3788(4) 0.0523(15) Uani 1 1 d .
H20C H 1.1454 0.2689 0.4308 0.063 Uiso 1 1 calc R
H20D H 1.1754 0.2546 0.3556 0.063 Uiso 1 1 calc R
C21 C 0.8624(4) 0.6526(4) 0.1305(3) 0.0446(13) Uani 1 1 d .
H21A H 0.8059 0.6736 0.1102 0.054 Uiso 1 1 calc R
H21B H 0.8472 0.5949 0.1142 0.054 Uiso 1 1 calc R
C21' C 1.1719(4) 0.3715(3) 0.3800(4) 0.0463(13) Uani 1 1 d .
H21C H 1.1655 0.3850 0.3280 0.056 Uiso 1 1 calc R
H21D H 1.1318 0.3995 0.4013 0.056 Uiso 1 1 calc R
C22 C 0.9380(4) 0.6927(3) 0.0966(3) 0.0415(12) Uani 1 1 d .
H22A H 0.9477 0.7509 0.1078 0.050 Uiso 1 1 calc R
H22B H 0.9157 0.6809 0.0417 0.050 Uiso 1 1 calc R
C22' C 1.2710(4) 0.4018(3) 0.4239(3) 0.0394(12) Uani 1 1 d .
H22C H 1.3088 0.3649 0.4119 0.047 Uiso 1 1 calc R
H22D H 1.2743 0.4014 0.4777 0.047 Uiso 1 1 calc R
C23 C 1.0313(3) 0.6688(3) 0.1226(3) 0.0350(11) Uani 1 1 d .
H23A H 1.0574 0.6858 0.1766 0.042 Uiso 1 1 calc R
H23B H 1.0747 0.6974 0.0960 0.042 Uiso 1 1 calc R
C23' C 1.3133(4) 0.4855(3) 0.4091(3) 0.0415(12) Uani 1 1 d .
H23C H 1.3037 0.4875 0.3546 0.050 Uiso 1 1 calc R
H23D H 1.3810 0.4968 0.4323 0.050 Uiso 1 1 calc R
C24 C 1.0252(3) 0.5793(3) 0.1095(3) 0.0278(9) Uani 1 1 d .
H24A H 0.9997 0.5625 0.0554 0.033 Uiso 1 1 calc R
H24B H 0.9813 0.5507 0.1356 0.033 Uiso 1 1 calc R
C24' C 1.2722(4) 0.5506(3) 0.4391(3) 0.0322(10) Uani 1 1 d .
H24C H 1.3074 0.5675 0.4916 0.039 Uiso 1 1 calc R
H24D H 1.2073 0.5274 0.4387 0.039 Uiso 1 1 calc R
C31 C 0.5482(3) 0.0777(3) 0.3434(3) 0.0350(11) Uani 1 1 d D
C31' C 0.4005(3) 0.2679(3) 0.0474(3) 0.0326(10) Uani 1 1 d .
C32 C 0.587(4) 0.079(3) 0.4175(7) 0.134(10) Uani 0.87(2) 1 d PD
H32B H 0.5754 0.1162 0.4520 0.161 Uiso 0.87(2) 1 d PR
C32A C 0.587(15) 0.077(13) 0.4177(16) 0.134(10) Uani 0.13 1 d PD
H32C H 0.5540 0.0956 0.4507 0.161 Uiso 0.13(2) 1 d PR
C33A C 0.656(2) 0.0363(15) 0.4429(13) 0.134(10) Uani 0.87(2) 1 d PD
H33C H 0.6724 0.0214 0.4929 0.161 Uiso 0.87(2) 1 d PR
C33 C 0.674(10) 0.061(7) 0.435(5) 0.134(10) Uani 0.13 1 d PD
H33B H 0.7096 0.0725 0.4864 0.161 Uiso 0.13(2) 1 d PR
C32' C 0.3977(4) 0.2942(4) -0.0220(4) 0.0498(14) Uani 1 1 d .
H32A H 0.3905 0.2565 -0.0637 0.060 Uiso 1 1 d R
C33' C 0.4050(5) 0.3738(4) -0.0316(4) 0.0631(19) Uani 1 1 d .
H33A H 0.4032 0.3923 -0.0798 0.076 Uiso 1 1 d R
C34 C 0.6928(5) 0.0030(4) 0.3916(6) 0.083(3) Uani 1 1 d D
H34A H 0.7510 -0.0131 0.4077 0.100 Uiso 1 1 d R
C34' C 0.4157(5) 0.4284(4) 0.0278(5) 0.0594(18) Uani 1 1 d .
H34B H 0.4215 0.4841 0.0216 0.071 Uiso 1 1 d R
C35 C 0.6510(6) -0.0008(5) 0.3183(5) 0.079(3) Uani 1 1 d .
H35A H 0.6731 -0.0290 0.2832 0.095 Uiso 1 1 d R
C35' C 0.4172(5) 0.4026(3) 0.0971(4) 0.0568(16) Uani 1 1 d .
H35B H 0.4229 0.4391 0.1393 0.068 Uiso 1 1 d R
C36 C 0.5809(5) 0.0383(5) 0.2951(4) 0.0595(18) Uani 1 1 d .
H36A H 0.5511 0.0344 0.2427 0.071 Uiso 1 1 d R
C36' C 0.4097(4) 0.3228(3) 0.1064(3) 0.0449(13) Uani 1 1 d .
H36B H 0.4126 0.3040 0.1546 0.054 Uiso 1 1 d R
C41 C 0.3592(3) 0.0683(3) 0.3441(3) 0.0289(10) Uani 1 1 d .
C41' C 0.2663(3) 0.1211(3) 0.0130(3) 0.0304(10) Uani 1 1 d .
C42 C 0.3384(4) -0.0145(3) 0.3279(3) 0.0349(11) Uani 1 1 d .
H42A H 0.3776 -0.0393 0.3065 0.042 Uiso 1 1 calc R
C42' C 0.2395(4) 0.0441(3) -0.0226(3) 0.0400(12) Uani 1 1 d .
H42B H 0.2854 0.0155 -0.0278 0.048 Uiso 1 1 calc R
C43 C 0.2607(4) -0.0602(3) 0.3430(3) 0.0405(12) Uani 1 1 d .
H43A H 0.2462 -0.1163 0.3313 0.049 Uiso 1 1 calc R
C43' C 0.1464(4) 0.0089(4) -0.0502(3) 0.0462(13) Uani 1 1 d .
H43B H 0.1288 -0.0437 -0.0743 0.055 Uiso 1 1 calc R
C44 C 0.2040(4) -0.0240(4) 0.3754(3) 0.0455(14) Uani 1 1 d .
H44A H 0.1505 -0.0554 0.3854 0.055 Uiso 1 1 calc R
C44' C 0.0793(4) 0.0494(4) -0.0432(3) 0.0471(14) Uani 1 1 d .
H44B H 0.0155 0.0247 -0.0619 0.057 Uiso 1 1 calc R
C45 C 0.2249(4) 0.0569(4) 0.3929(3) 0.0470(14) Uani 1 1 d .
H45A H 0.1862 0.0813 0.4154 0.056 Uiso 1 1 calc R
C45' C 0.1046(4) 0.1259(4) -0.0091(3) 0.0427(12) Uani 1 1 d .
H45B H 0.0583 0.1542 -0.0046 0.051 Uiso 1 1 calc R
C46 C 0.3032(4) 0.1037(3) 0.3778(3) 0.0374(11) Uani 1 1 d .
H46A H 0.3179 0.1596 0.3906 0.045 Uiso 1 1 calc R
C46' C 0.1984(4) 0.1618(3) 0.0190(3) 0.0376(11) Uani 1 1 d .
H46B H 0.2156 0.2147 0.0425 0.045 Uiso 1 1 calc R
C51 C 1.1954(3) 0.5785(3) 0.0699(2) 0.0263(9) Uani 1 1 d .
C51' C 1.3900(3) 0.7008(3) 0.4126(3) 0.0290(9) Uani 1 1 d .
C52' C 1.4018(4) 0.7829(3) 0.4174(3) 0.0374(11) Uani 1 1 d .
H52A H 1.3497 0.8064 0.4150 0.045 Uiso 1 1 calc R
C53 C 1.2680(4) 0.6866(3) 0.0107(3) 0.0411(12) Uani 1 1 d .
H53A H 1.2881 0.7421 0.0084 0.049 Uiso 1 1 calc R
C53' C 1.4887(4) 0.8313(3) 0.4256(3) 0.0456(13) Uani 1 1 d .
H53B H 1.4957 0.8875 0.4276 0.055 Uiso 1 1 calc R
C54 C 1.2809(4) 0.6329(4) -0.0403(3) 0.0487(14) Uani 1 1 d .
H54A H 1.3091 0.6511 -0.0784 0.058 Uiso 1 1 calc R
C54' C 1.5640(4) 0.7982(4) 0.4309(3) 0.0470(14) Uani 1 1 d .
H54B H 1.6234 0.8313 0.4361 0.056 Uiso 1 1 calc R
C55 C 1.2525(4) 0.5521(4) -0.0361(3) 0.0465(14) Uani 1 1 d .
H55A H 1.2626 0.5151 -0.0709 0.056 Uiso 1 1 calc R
C55' C 1.5544(4) 0.7167(4) 0.4288(3) 0.0471(14) Uani 1 1 d .
H55B H 1.6075 0.6940 0.4342 0.056 Uiso 1 1 calc R
C56' C 1.4677(3) 0.6683(3) 0.4188(3) 0.0385(11) Uani 1 1 d .
H56A H 1.4613 0.6121 0.4163 0.046 Uiso 1 1 calc R
C60 C 1.2257(3) 0.6599(3) 0.0654(3) 0.0324(10) Uani 1 1 d .
H60A H 1.2170 0.6975 0.1006 0.039 Uiso 1 1 calc R
C61 C 1.1106(3) 0.4421(3) 0.1335(2) 0.0275(9) Uani 1 1 d .
C61' C 1.2081(3) 0.6959(3) 0.4300(3) 0.0321(10) Uani 1 1 d .
C62 C 1.1820(4) 0.4038(3) 0.1613(3) 0.0400(12) Uani 1 1 d .
H62A H 1.2434 0.4344 0.1807 0.048 Uiso 1 1 calc R
C62' C 1.2345(5) 0.7155(5) 0.5067(3) 0.063(2) Uani 1 1 d .
H62B H 1.2869 0.6992 0.5366 0.076 Uiso 1 1 calc R
C63' C 1.1846(6) 0.7587(6) 0.5396(4) 0.087(3) Uani 1 1 d .
H63A H 1.2017 0.7710 0.5922 0.105 Uiso 1 1 calc R
C63 C 1.1661(4) 0.3218(3) 0.1615(4) 0.0478(14) Uani 1 1 d .
H63B H 1.2161 0.2964 0.1805 0.057 Uiso 1 1 calc R
C64 C 1.0768(5) 0.2773(3) 0.1337(4) 0.0486(14) Uani 1 1 d .
H64A H 1.0650 0.2211 0.1343 0.058 Uiso 1 1 calc R
C64' C 1.1095(6) 0.7841(5) 0.4956(4) 0.071(2) Uani 1 1 d .
H64B H 1.0760 0.8145 0.5181 0.085 Uiso 1 1 calc R
C65 C 1.0047(4) 0.3147(3) 0.1051(3) 0.0481(14) Uani 1 1 d .
H65A H 0.9434 0.2840 0.0857 0.058 Uiso 1 1 calc R
C65' C 1.0836(4) 0.7654(4) 0.4200(4) 0.0489(14) Uani 1 1 d .
H65B H 1.0317 0.7823 0.3902 0.059 Uiso 1 1 calc R
C56 C 1.2097(4) 0.5245(3) 0.0184(3) 0.0350(11) Uani 1 1 d .
H56B H 1.1904 0.4689 0.0205 0.042 Uiso 1 1 calc R
C66' C 1.1329(3) 0.7218(3) 0.3869(3) 0.0359(11) Uani 1 1 d .
H66A H 1.1151 0.7096 0.3343 0.043 Uiso 1 1 calc R
C66 C 1.0213(4) 0.3968(3) 0.1046(3) 0.0359(11) Uani 1 1 d .
H66B H 0.9716 0.4221 0.0845 0.043 Uiso 1 1 calc R
C71 C 0.2991(3) 0.0558(3) 0.1671(2) 0.0262(9) Uani 1 1 d .
C71' C 1.3310(3) 0.6586(3) 0.2386(3) 0.0319(10) Uani 1 1 d .
F72' F 1.3846(2) 0.5394(2) 0.2271(2) 0.0536(9) Uani 1 1 d .
F72 F 0.3622(3) -0.03964(19) 0.1128(2) 0.0511(8) Uani 1 1 d .
C72' C 1.3968(4) 0.6195(3) 0.2248(3) 0.0392(12) Uani 1 1 d .
C72 C 0.2913(4) -0.0213(3) 0.1381(3) 0.0353(11) Uani 1 1 d .
F73 F 0.2132(3) -0.15563(19) 0.1037(2) 0.0703(12) Uani 1 1 d .
F73' F 1.5390(3) 0.6154(3) 0.1962(3) 0.0811(14) Uani 1 1 d .
C73 C 0.2163(4) -0.0822(3) 0.1331(3) 0.0463(14) Uani 1 1 d .
C73' C 1.4775(4) 0.6574(4) 0.2086(3) 0.0519(16) Uani 1 1 d .
F74 F 0.0710(3) -0.1262(2) 0.1564(2) 0.0729(13) Uani 1 1 d .
F74' F 1.5726(3) 0.7767(3) 0.1909(3) 0.0871(16) Uani 1 1 d .
C74' C 1.4944(4) 0.7378(4) 0.2065(3) 0.0555(17) Uani 1 1 d .
C74 C 0.1438(4) -0.0674(3) 0.1575(3) 0.0467(15) Uani 1 1 d .
F75 F 0.0728(2) 0.0244(2) 0.2075(2) 0.0579(10) Uani 1 1 d .
F75' F 1.4480(3) 0.8598(2) 0.2195(3) 0.0794(13) Uani 1 1 d .
C75 C 0.1450(3) 0.0087(3) 0.1842(3) 0.0394(12) Uani 1 1 d .
C75' C 1.4324(5) 0.7803(4) 0.2205(3) 0.0515(16) Uani 1 1 d .
F76 F 0.2191(2) 0.14213(17) 0.21399(17) 0.0381(7) Uani 1 1 d .
F76' F 1.2920(2) 0.78429(19) 0.2491(2) 0.0505(8) Uani 1 1 d .
C76 C 0.2214(3) 0.0685(3) 0.1873(3) 0.0302(10) Uani 1 1 d .
C76' C 1.3518(4) 0.7397(3) 0.2359(3) 0.0377(11) Uani 1 1 d .
C80 C 0.8061(8) 0.8688(7) 0.2071(5) 0.104(3) Uani 1 1 d .
H80A H 0.7464 0.8307 0.1927 0.156 Uiso 1 1 calc R
H80B H 0.8500 0.8500 0.1835 0.156 Uiso 1 1 calc R
H80C H 0.7975 0.9208 0.1908 0.156 Uiso 1 1 calc R
C81 C 0.8441(6) 0.8765(5) 0.2911(4) 0.0649(19) Uani 1 1 d .
C82 C 0.9287(5) 0.9271(5) 0.3323(6) 0.077(2) Uani 1 1 d .
H82A H 0.9664 0.9588 0.3061 0.093 Uiso 1 1 calc R
C83 C 0.9576(6) 0.9317(6) 0.4080(5) 0.078(2) Uani 1 1 d .
H83A H 1.0142 0.9667 0.4339 0.094 Uiso 1 1 calc R
C84 C 0.9058(6) 0.8864(6) 0.4465(5) 0.079(2) Uani 1 1 d .
H84A H 0.9263 0.8892 0.4994 0.095 Uiso 1 1 calc R
C85 C 0.8236(6) 0.8364(5) 0.4092(5) 0.071(2) Uani 1 1 d .
H85A H 0.7875 0.8048 0.4366 0.085 Uiso 1 1 calc R
C86 C 0.7921(5) 0.8314(4) 0.3309(5) 0.0634(18) Uani 1 1 d .
H86A H 0.7349 0.7968 0.3057 0.076 Uiso 1 1 calc R
C90 C 1.162(8) 0.538(7) 0.560(6) 0.93(7) Uiso 0.50 1 d P
C91 C 1.1059(17) 0.5210(15) 0.5408(12) 0.186(7) Uiso 1 1 d .
C92 C 1.042(3) 0.444(2) 0.5160(17) 0.341(14) Uiso 1 1 d .
C93 C 0.973(2) 0.4539(13) 0.4979(13) 0.191(8) Uiso 1 1 d .
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 C71 176.02(18) . .
C1 Pt1 P1' 91.99(14) . .
C71 Pt1 P1' 91.09(13) . .
C1 Pt1 P1 86.44(14) . .
C71 Pt1 P1 90.65(13) . .
P1' Pt1 P1 175.97(4) . .
C41' P1' C11' 102.6(2) . .
C41' P1' C31' 103.6(2) . .
C11' P1' C31' 106.0(2) . .
C41' P1' Pt1 112.34(16) . .
C11' P1' Pt1 117.55(19) . .
C31' P1' Pt1 113.27(18) . .
C31 P1 C41 103.4(2) . .
C31 P1 C11 105.4(2) . .
C41 P1 C11 107.6(2) . .
C31 P1 Pt1 112.96(18) . .
C41 P1 Pt1 116.16(16) . .
C11 P1 Pt1 110.60(17) . .
C2 C1 Pt1 175.9(5) . .
C8 Pt2 C71' 177.46(18) . .
C8 Pt2 P2' 90.71(14) . .
C71' Pt2 P2' 91.60(13) . .
C8 Pt2 P2 82.74(14) . .
C71' Pt2 P2 94.91(13) . .
P2' Pt2 P2 173.07(4) . .
C51 P2 C61 106.0(2) . .
C51 P2 C24 104.0(2) . .
C61 P2 C24 106.1(2) . .
C51 P2 Pt2 117.79(15) . .
C61 P2 Pt2 110.35(15) . .
C24 P2 Pt2 111.80(16) . .
C61' P2' C24' 103.6(2) . .
C61' P2' C51' 103.6(2) . .
C24' P2' C51' 109.5(2) . .
C61' P2' Pt2 115.03(17) . .
C24' P2' Pt2 109.46(17) . .
C51' P2' Pt2 114.89(16) . .
C1 C2 C3 178.9(6) . .
C4 C3 C2 178.4(6) . .
C3 C4 C5 178.2(6) . .
C6 C5 C4 177.0(6) . .
C5 C6 C7 177.3(6) . .
C8 C7 C6 172.8(5) . .
C7 C8 Pt2 171.6(4) . .
C12 C11 P1 114.3(3) . .
C12' C11' P1' 115.6(4) . .
C13 C12 C11 114.5(5) . .
C13' C12' C11' 114.1(4) . .
C14 C13 C12 114.6(5) . .
C14' C13' C12' 113.4(4) . .
C13 C14 C15 114.4(5) . .
C15' C14' C13' 112.8(5) . .
C16 C15 C14 110.8(5) . .
C14' C15' C16' 114.4(5) . .
C15 C16 C17 114.8(6) . .
C15' C16' C17' 111.2(5) . .
C16 C17 C18 113.2(5) . .
C18' C17' C16' 115.4(5) . .
C19 C18 C17 112.7(6) . .
C19' C18' C17' 113.9(5) . .
C18 C19 C20 113.7(5) . .
C18' C19' C20' 113.4(5) . .
C21 C20 C19 111.6(5) . .
C21' C20' C19' 113.4(5) . .
C20 C21 C22 115.6(5) . .
C22' C21' C20' 114.4(5) . .
C21 C22 C23 115.9(5) . .
C21' C22' C23' 114.1(5) . .
C22 C23 C24 113.4(4) . .
C22' C23' C24' 113.8(4) . .
C23 C24 P2 113.6(3) . .
C23' C24' P2' 115.5(4) . .
C36 C31 C32 118.8(13) . .
C36 C31 C32A 118(4) . .
C32 C31 C32A 1(10) . .
C36 C31 P1 121.5(4) . .
C32 C31 P1 119.6(13) . .
C32A C31 P1 120(5) . .
C36' C31' C32' 118.7(5) . .
C36' C31' P1' 119.4(4) . .
C32' C31' P1' 121.9(4) . .
C31 C32 C33A 120.1(16) . .
C31 C32 C33 114(4) . .
C33A C32 C33 21(7) . .
C31 C32A C33A 121(7) . .
C31 C32A C33 114(9) . .
C33A C32A C33 21(7) . .
C32 C33A C34 118.6(16) . .
C32 C33A C32A 1(10) . .
C34 C33A C32A 119(4) . .
C34 C33 C32 119(8) . .
C34 C33 C32A 119(10) . .
C32 C33 C32A 1(10) . .
C33' C32' C31' 120.4(6) . .
C32' C33' C34' 120.6(6) . .
C35 C34 C33A 120.0(13) . .
C35 C34 C33 115(5) . .
C33A C34 C33 21(8) . .
C35' C34' C33' 119.4(6) . .
C34 C35 C36 119.4(8) . .
C36' C35' C34' 119.8(6) . .
C31 C36 C35 122.2(7) . .
C31' C36' C35' 121.1(6) . .
C46 C41 C42 119.4(5) . .
C46 C41 P1 121.9(4) . .
C42 C41 P1 118.3(4) . .
C46' C41' C42' 118.8(5) . .
C46' C41' P1' 119.5(4) . .
C42' C41' P1' 121.1(4) . .
C43 C42 C41 120.2(5) . .
C43' C42' C41' 120.4(5) . .
C42 C43 C44 119.9(5) . .
C44' C43' C42' 120.5(5) . .
C45 C44 C43 120.3(5) . .
C43' C44' C45' 119.9(5) . .
C44 C45 C46 120.2(5) . .
C44' C45' C46' 120.0(5) . .
C41 C46 C45 119.9(5) . .
C41' C46' C45' 120.4(5) . .
C56 C51 C60 118.4(4) . .
C56 C51 P2 124.0(4) . .
C60 C51 P2 117.5(4) . .
C56' C51' C52' 118.3(4) . .
C56' C51' P2' 121.6(4) . .
C52' C51' P2' 119.7(4) . .
C53' C52' C51' 120.9(5) . .
C54 C53 C60 119.9(5) . .
C54' C53' C52' 119.8(5) . .
C53 C54 C55 119.7(5) . .
C53' C54' C55' 120.3(5) . .
C56 C55 C54 121.0(5) . .
C56' C55' C54' 120.0(5) . .
C55' C56' C51' 120.5(5) . .
C53 C60 C51 121.2(5) . .
C62 C61 C66 118.9(4) . .
C62 C61 P2 118.4(4) . .
C66 C61 P2 122.6(4) . .
C62' C61' C66' 119.3(5) . .
C62' C61' P2' 119.6(4) . .
C66' C61' P2' 121.1(4) . .
C63 C62 C61 121.4(5) . .
C63' C62' C61' 120.0(6) . .
C62' C63' C64' 119.9(7) . .
C64 C63 C62 119.3(6) . .
C63 C64 C65 120.0(5) . .
C65' C64' C63' 120.3(6) . .
C66 C65 C64 120.4(5) . .
C64' C65' C66' 120.1(6) . .
C55 C56 C51 119.7(5) . .
C65' C66' C61' 120.4(5) . .
C65 C66 C61 120.1(5) . .
C76 C71 C72 114.0(4) . .
C76 C71 Pt1 123.6(3) . .
C72 C71 Pt1 122.2(4) . .
C76' C71' C72' 114.7(5) . .
C76' C71' Pt2 122.5(4) . .
C72' C71' Pt2 122.8(4) . .
F72' C72' C71' 120.1(4) . .
F72' C72' C73' 116.3(5) . .
C71' C72' C73' 123.6(6) . .
F72 C72 C73 116.6(5) . .
F72 C72 C71 119.0(4) . .
C73 C72 C71 124.4(5) . .
F73 C73 C74 119.7(5) . .
F73 C73 C72 121.2(6) . .
C74 C73 C72 119.1(5) . .
F73' C73' C74' 120.6(5) . .
F73' C73' C72' 120.4(6) . .
C74' C73' C72' 119.0(6) . .
F74' C74' C73' 120.6(7) . .
F74' C74' C75' 119.1(6) . .
C73' C74' C75' 120.3(5) . .
F74 C74 C73 120.8(6) . .
F74 C74 C75 119.5(6) . .
C73 C74 C75 119.7(5) . .
F75 C75 C74 120.3(5) . .
F75 C75 C76 120.5(5) . .
C74 C75 C76 119.3(5) . .
F75' C75' C74' 121.4(5) . .
F75' C75' C76' 119.9(6) . .
C74' C75' C76' 118.7(6) . .
F76 C76 C71 119.8(4) . .
F76 C76 C75 116.9(5) . .
C71 C76 C75 123.3(5) . .
F76' C76' C71' 119.7(4) . .
F76' C76' C75' 116.7(5) . .
C71' C76' C75' 123.6(6) . .
C86 C81 C82 117.2(8) . .
C86 C81 C80 117.4(8) . .
C82 C81 C80 125.5(8) . .
C83 C82 C81 122.1(8) . .
C84 C83 C82 120.1(8) . .
C83 C84 C85 120.0(8) . .
C84 C85 C86 120.8(8) . .
C81 C86 C85 119.9(8) . .
C90 C91 C92 137(9) . .
C90 C91 C93 141(9) . 2_766
C92 C91 C93 80(2) . 2_766
C93 C92 C91 108(3) . .
C93 C92 C93 62(3) . 2_766
C91 C92 C93 48.4(14) . 2_766
C92 C93 C91 163(3) . 2_766
C92 C93 C93 83(3) . 2_766
C91 C93 C93 86(2) 2_766 2_766
C92 C93 C92 118(3) . 2_766
C91 C93 C92 51.5(17) 2_766 2_766
C93 C93 C92 35.5(13) 2_766 2_766
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 1.987(4) .
Pt1 C71 2.055(4) .
Pt1 P1' 2.2947(13) .
Pt1 P1 2.3008(13) .
P1' C41' 1.817(5) .
P1' C11' 1.821(5) .
P1' C31' 1.818(5) .
P1 C31 1.811(5) .
P1 C41 1.824(5) .
P1 C11 1.833(5) .
C1 C2 1.215(7) .
Pt2 C8 1.994(4) .
Pt2 C71' 2.066(5) .
Pt2 P2' 2.2924(14) .
Pt2 P2 2.3054(14) .
P2 C51 1.812(5) .
P2 C61 1.818(5) .
P2 C24 1.823(5) .
P2' C61' 1.807(5) .
P2' C24' 1.824(5) .
P2' C51' 1.824(5) .
C2 C3 1.365(7) .
C3 C4 1.214(7) .
C4 C5 1.360(7) .
C5 C6 1.207(7) .
C6 C7 1.360(7) .
C7 C8 1.212(6) .
C11 C12 1.538(7) .
C11' C12' 1.536(7) .
C12 C13 1.539(8) .
C12' C13' 1.529(8) .
C13 C14 1.502(8) .
C13' C14' 1.509(7) .
C14 C15 1.537(8) .
C14' C15' 1.497(8) .
C15 C16 1.518(9) .
C15' C16' 1.514(7) .
C16 C17 1.514(9) .
C16' C17' 1.543(9) .
C17 C18 1.527(8) .
C17' C18' 1.522(9) .
C18 C19 1.519(9) .
C18' C19' 1.507(9) .
C19 C20 1.522(8) .
C19' C20' 1.535(8) .
C20 C21 1.501(8) .
C20' C21' 1.511(8) .
C21 C22 1.512(8) .
C21' C22' 1.501(8) .
C22 C23 1.525(7) .
C22' C23' 1.525(7) .
C23 C24 1.530(7) .
C23' C24' 1.532(7) .
C31 C36 1.349(8) .
C31 C32 1.354(14) .
C31 C32A 1.36(3) .
C31' C36' 1.377(7) .
C31' C32' 1.380(8) .
C32 C33A 1.40(5) .
C32 C33 1.39(8) .
C32A C33A 1.38(7) .
C32A C33 1.4(3) .
C33A C34 1.374(18) .
C33 C34 1.38(3) .
C32' C33' 1.375(9) .
C33' C34' 1.374(11) .
C34 C35 1.346(13) .
C34' C35' 1.377(10) .
C35 C36 1.360(9) .
C35' C36' 1.378(8) .
C41 C46 1.389(7) .
C41 C42 1.400(7) .
C41' C46' 1.380(7) .
C41' C42' 1.392(7) .
C42 C43 1.385(7) .
C42' C43' 1.382(7) .
C43 C44 1.390(8) .
C43' C44' 1.371(9) .
C44 C45 1.372(9) .
C44' C45' 1.375(9) .
C45 C46 1.399(8) .
C45' C46' 1.396(7) .
C51 C56 1.393(7) .
C51 C60 1.399(6) .
C51' C56' 1.386(7) .
C51' C52' 1.386(7) .
C52' C53' 1.387(7) .
C53 C54 1.371(8) .
C53 C60 1.383(7) .
C53' C54' 1.360(9) .
C54 C55 1.385(8) .
C54' C55' 1.379(9) .
C55 C56 1.388(7) .
C55' C56' 1.381(7) .
C61 C62 1.383(7) .
C61 C66 1.389(7) .
C61' C62' 1.389(8) .
C61' C66' 1.387(7) .
C62 C63 1.384(7) .
C62' C63' 1.385(9) .
C63' C64' 1.387(11) .
C63 C64 1.382(9) .
C64 C65 1.384(9) .
C64' C65' 1.367(10) .
C65 C66 1.387(7) .
C65' C66' 1.383(7) .
C71 C76 1.378(7) .
C71 C72 1.383(7) .
C71' C76' 1.376(7) .
C71' C72' 1.377(7) .
F72' C72' 1.359(7) .
F72 C72 1.363(6) .
C72' C73' 1.384(7) .
C72 C73 1.371(7) .
F73 C73 1.342(6) .
F73' C73' 1.344(7) .
C73 C74 1.356(9) .
C73' C74' 1.362(10) .
F74 C74 1.344(6) .
F74' C74' 1.352(6) .
C74' C75' 1.366(10) .
C74 C75 1.374(9) .
F75 C75 1.346(7) .
F75' C75' 1.344(7) .
C75 C76 1.382(7) .
C75' C76' 1.390(7) .
F76 C76 1.351(6) .
F76' C76' 1.359(7) .
C80 C81 1.515(12) .
C81 C86 1.371(10) .
C81 C82 1.419(12) .
C82 C83 1.361(12) .
C83 C84 1.354(12) .
C84 C85 1.371(12) .
C85 C86 1.408(11) .
C90 C91 0.83(11) .
C91 C92 1.46(4) .
C91 C93 1.39(3) 2_766
C92 C93 1.07(3) .
C92 C93 1.83(3) 2_766
C93 C91 1.39(3) 2_766
C93 C93 1.63(4) 2_766
C93 C92 1.83(3) 2_766
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C1 Pt1 P1' C41' -167.8(2) . .
C71 Pt1 P1' C41' 14.8(2) . .
P1 Pt1 P1' C41' -100.7(6) . .
C1 Pt1 P1' C11' 73.5(2) . .
C71 Pt1 P1' C11' -103.9(2) . .
P1 Pt1 P1' C11' 140.6(6) . .
C1 Pt1 P1' C31' -50.7(2) . .
C71 Pt1 P1' C31' 131.8(2) . .
P1 Pt1 P1' C31' 16.3(6) . .
C1 Pt1 P1 C31 -68.5(2) . .
C71 Pt1 P1 C31 108.8(2) . .
P1' Pt1 P1 C31 -135.7(6) . .
C1 Pt1 P1 C41 172.3(2) . .
C71 Pt1 P1 C41 -10.4(2) . .
P1' Pt1 P1 C41 105.1(6) . .
C1 Pt1 P1 C11 49.4(2) . .
C71 Pt1 P1 C11 -133.4(2) . .
P1' Pt1 P1 C11 -17.9(6) . .
C71 Pt1 C1 C2 -3(8) . .
P1' Pt1 C1 C2 -144(6) . .
P1 Pt1 C1 C2 40(6) . .
C8 Pt2 P2 C51 177.6(2) . .
C71' Pt2 P2 C51 -3.3(2) . .
P2' Pt2 P2 C51 -163.4(4) . .
C8 Pt2 P2 C61 -60.6(2) . .
C71' Pt2 P2 C61 118.5(2) . .
P2' Pt2 P2 C61 -41.5(4) . .
C8 Pt2 P2 C24 57.3(2) . .
C71' Pt2 P2 C24 -123.7(2) . .
P2' Pt2 P2 C24 76.3(4) . .
C8 Pt2 P2' C61' -59.5(2) . .
C71' Pt2 P2' C61' 121.5(2) . .
P2 Pt2 P2' C61' -78.4(4) . .
C8 Pt2 P2' C24' 56.6(2) . .
C71' Pt2 P2' C24' -122.3(2) . .
P2 Pt2 P2' C24' 37.8(4) . .
C8 Pt2 P2' C51' -179.6(2) . .
C71' Pt2 P2' C51' 1.4(2) . .
P2 Pt2 P2' C51' 161.5(4) . .
Pt1 C1 C2 C3 161(26) . .
C1 C2 C3 C4 -24(43) . .
C2 C3 C4 C5 7(36) . .
C3 C4 C5 C6 -29(27) . .
C4 C5 C6 C7 5(22) . .
C5 C6 C7 C8 -3(16) . .
C6 C7 C8 Pt2 -12(7) . .
C71' Pt2 C8 C7 -5(7) . .
P2' Pt2 C8 C7 -160(3) . .
P2 Pt2 C8 C7 17(3) . .
C31 P1 C11 C12 165.3(4) . .
C41 P1 C11 C12 -84.9(4) . .
Pt1 P1 C11 C12 42.9(4) . .
C41' P1' C11' C12' 173.2(4) . .
C31' P1' C11' C12' 64.8(5) . .
Pt1 P1' C11' C12' -63.1(4) . .
P1 C11 C12 C13 -161.2(4) . .
P1' C11' C12' C13' 85.3(5) . .
C11 C12 C13 C14 64.6(7) . .
C11' C12' C13' C14' -173.8(4) . .
C12 C13 C14 C15 173.2(5) . .
C12' C13' C14' C15' 166.5(5) . .
C13 C14 C15 C16 179.0(6) . .
C13' C14' C15' C16' -176.4(5) . .
C14 C15 C16 C17 -176.3(6) . .
C14' C15' C16' C17' 170.1(5) . .
C15 C16 C17 C18 -178.6(6) . .
C15' C16' C17' C18' 173.1(5) . .
C16 C17 C18 C19 67.8(8) . .
C16' C17' C18' C19' 61.9(8) . .
C17 C18 C19 C20 171.5(5) . .
C17' C18' C19' C20' 172.1(6) . .
C18 C19 C20 C21 174.1(5) . .
C18' C19' C20' C21' 172.4(6) . .
C19 C20 C21 C22 174.2(5) . .
C19' C20' C21' C22' 177.9(5) . .
C20 C21 C22 C23 57.0(7) . .
C20' C21' C22' C23' 165.3(5) . .
C21 C22 C23 C24 57.1(7) . .
C21' C22' C23' C24' 69.2(6) . .
C22 C23 C24 P2 -179.4(4) . .
C51 P2 C24 C23 -76.9(4) . .
C61 P2 C24 C23 171.6(3) . .
Pt2 P2 C24 C23 51.2(4) . .
C22' C23' C24' P2' -150.9(4) . .
C61' P2' C24' C23' 173.1(4) . .
C51' P2' C24' C23' -76.8(4) . .
Pt2 P2' C24' C23' 50.0(4) . .
C41 P1 C31 C36 112.3(5) . .
C11 P1 C31 C36 -134.9(5) . .
Pt1 P1 C31 C36 -14.0(6) . .
C41 P1 C31 C32 -66(3) . .
C11 P1 C31 C32 47(3) . .
Pt1 P1 C31 C32 168(3) . .
C41 P1 C31 C32A -65(13) . .
C11 P1 C31 C32A 48(13) . .
Pt1 P1 C31 C32A 169(13) . .
C41' P1' C31' C36' 108.9(5) . .
C11' P1' C31' C36' -143.5(4) . .
Pt1 P1' C31' C36' -13.2(5) . .
C41' P1' C31' C32' -68.1(5) . .
C11' P1' C31' C32' 39.5(5) . .
Pt1 P1' C31' C32' 169.9(4) . .
C36 C31 C32 C33A -3(7) . .
C32A C31 C32 C33A 49(100) . .
P1 C31 C32 C33A 176(4) . .
C36 C31 C32 C33 20(4) . .
C32A C31 C32 C33 72(100) . .
P1 C31 C32 C33 -162(5) . .
C36 C31 C32A C33A -1(25) . .
C32 C31 C32A C33A -130(100) . .
P1 C31 C32A C33A 177(13) . .
C36 C31 C32A C33 22(27) . .
C32 C31 C32A C33 -107(100) . .
P1 C31 C32A C33 -160(15) . .
C31 C32 C33A C34 8(9) . .
C33 C32 C33A C34 -71(8) . .
C31 C32 C33A C32A -81(100) . .
C33 C32 C33A C32A -161(100) . .
C31 C32A C33A C32 97(100) . .
C33 C32A C33A C32 19(100) . .
C31 C32A C33A C34 6(25) . .
C33 C32A C33A C34 -71(11) . .
C31 C32 C33 C34 -39(10) . .
C33A C32 C33 C34 72(11) . .
C31 C32 C33 C32A -96(100) . .
C33A C32 C33 C32A 15(100) . .
C31 C32A C33 C34 -42(31) . .
C33A C32A C33 C34 71(15) . .
C31 C32A C33 C32 82(100) . .
C33A C32A C33 C32 -165(100) . .
C36' C31' C32' C33' 0.7(9) . .
P1' C31' C32' C33' 177.6(5) . .
C31' C32' C33' C34' 0.4(11) . .
C32 C33A C34 C35 -12(6) . .
C32A C33A C34 C35 -11(11) . .
C32 C33A C34 C33 70(15) . .
C32A C33A C34 C33 71(24) . .
C32 C33 C34 C35 36(12) . .
C32A C33 C34 C35 37(21) . .
C32 C33 C34 C33A -73(17) . .
C32A C33 C34 C33A -72(27) . .
C32' C33' C34' C35' -1.4(11) . .
C33A C34 C35 C36 9.2(19) . .
C33 C34 C35 C36 -14(8) . .
C33' C34' C35' C36' 1.3(11) . .
C32 C31 C36 C35 0(3) . .
C32A C31 C36 C35 -1(13) . .
P1 C31 C36 C35 -178.1(6) . .
C34 C35 C36 C31 -3.4(12) . .
C32' C31' C36' C35' -0.8(9) . .
P1' C31' C36' C35' -177.8(5) . .
C34' C35' C36' C31' -0.2(10) . .
C31 P1 C41 C46 135.6(4) . .
C11 P1 C41 C46 24.4(5) . .
Pt1 P1 C41 C46 -100.1(4) . .
C31 P1 C41 C42 -50.6(4) . .
C11 P1 C41 C42 -161.8(4) . .
Pt1 P1 C41 C42 73.7(4) . .
C11' P1' C41' C46' -152.3(4) . .
C31' P1' C41' C46' -42.1(5) . .
Pt1 P1' C41' C46' 80.5(4) . .
C11' P1' C41' C42' 36.1(5) . .
C31' P1' C41' C42' 146.3(4) . .
Pt1 P1' C41' C42' -91.0(4) . .
C46 C41 C42 C43 2.3(7) . .
P1 C41 C42 C43 -171.6(4) . .
C46' C41' C42' C43' -0.9(8) . .
P1' C41' C42' C43' 170.7(4) . .
C41 C42 C43 C44 -1.0(8) . .
C41' C42' C43' C44' 0.1(9) . .
C42 C43 C44 C45 -0.4(9) . .
C42' C43' C44' C45' 0.6(9) . .
C43 C44 C45 C46 0.5(9) . .
C43' C44' C45' C46' -0.6(9) . .
C42 C41 C46 C45 -2.2(8) . .
P1 C41 C46 C45 171.5(4) . .
C44 C45 C46 C41 0.8(9) . .
C42' C41' C46' C45' 0.9(8) . .
P1' C41' C46' C45' -170.8(4) . .
C44' C45' C46' C41' -0.2(8) . .
C61 P2 C51 C56 3.7(5) . .
C24 P2 C51 C56 -108.0(4) . .
Pt2 P2 C51 C56 127.7(4) . .
C61 P2 C51 C60 -178.1(4) . .
C24 P2 C51 C60 70.2(4) . .
Pt2 P2 C51 C60 -54.1(4) . .
C61' P2' C51' C56' 153.0(4) . .
C24' P2' C51' C56' 42.9(5) . .
Pt2 P2' C51' C56' -80.8(4) . .
C61' P2' C51' C52' -34.2(5) . .
C24' P2' C51' C52' -144.2(4) . .
Pt2 P2' C51' C52' 92.1(4) . .
C56' C51' C52' C53' 2.2(8) . .
P2' C51' C52' C53' -170.9(4) . .
C51' C52' C53' C54' -1.6(9) . .
C60 C53 C54 C55 -0.9(9) . .
C52' C53' C54' C55' -0.6(9) . .
C53 C54 C55 C56 1.1(10) . .
C53' C54' C55' C56' 2.1(9) . .
C54' C55' C56' C51' -1.4(9) . .
C52' C51' C56' C55' -0.7(8) . .
P2' C51' C56' C55' 172.2(4) . .
C54 C53 C60 C51 0.0(8) . .
C56 C51 C60 C53 0.8(7) . .
P2 C51 C60 C53 -177.5(4) . .
C51 P2 C61 C62 76.3(4) . .
C24 P2 C61 C62 -173.6(4) . .
Pt2 P2 C61 C62 -52.3(4) . .
C51 P2 C61 C66 -107.4(4) . .
C24 P2 C61 C66 2.8(5) . .
Pt2 P2 C61 C66 124.1(4) . .
C24' P2' C61' C62' 54.4(6) . .
C51' P2' C61' C62' -60.0(6) . .
Pt2 P2' C61' C62' 173.9(5) . .
C24' P2' C61' C66' -126.6(4) . .
C51' P2' C61' C66' 119.0(4) . .
Pt2 P2' C61' C66' -7.2(5) . .
C66 C61 C62 C63 -0.6(8) . .
P2 C61 C62 C63 175.9(5) . .
C66' C61' C62' C63' 1.6(11) . .
P2' C61' C62' C63' -179.4(7) . .
C61' C62' C63' C64' -1.5(14) . .
C61 C62 C63 C64 -0.4(9) . .
C62 C63 C64 C65 1.0(9) . .
C62' C63' C64' C65' 1.1(15) . .
C63 C64 C65 C66 -0.5(9) . .
C63' C64' C65' C66' -0.8(13) . .
C54 C55 C56 C51 -0.3(9) . .
C60 C51 C56 C55 -0.6(8) . .
P2 C51 C56 C55 177.6(4) . .
C64' C65' C66' C61' 0.9(10) . .
C62' C61' C66' C65' -1.3(9) . .
P2' C61' C66' C65' 179.8(4) . .
C64 C65 C66 C61 -0.6(9) . .
C62 C61 C66 C65 1.1(8) . .
P2 C61 C66 C65 -175.2(4) . .
C1 Pt1 C71 C76 115(3) . .
P1' Pt1 C71 C76 -104.3(4) . .
P1 Pt1 C71 C76 72.1(4) . .
C1 Pt1 C71 C72 -60(3) . .
P1' Pt1 C71 C72 80.7(4) . .
P1 Pt1 C71 C72 -103.0(4) . .
C8 Pt2 C71' C76' 126(4) . .
P2' Pt2 C71' C76' -78.4(4) . .
P2 Pt2 C71' C76' 104.0(4) . .
C8 Pt2 C71' C72' -55(5) . .
P2' Pt2 C71' C72' 100.8(4) . .
P2 Pt2 C71' C72' -76.8(4) . .
C76' C71' C72' F72' 179.0(5) . .
Pt2 C71' C72' F72' -0.2(7) . .
C76' C71' C72' C73' -0.7(8) . .
Pt2 C71' C72' C73' -179.9(4) . .
C76 C71 C72 F72 176.7(4) . .
Pt1 C71 C72 F72 -7.8(6) . .
C76 C71 C72 C73 -3.6(7) . .
Pt1 C71 C72 C73 171.9(4) . .
F72 C72 C73 F73 -0.9(8) . .
C71 C72 C73 F73 179.5(5) . .
F72 C72 C73 C74 179.9(5) . .
C71 C72 C73 C74 0.2(9) . .
F72' C72' C73' F73' -0.1(8) . .
C71' C72' C73' F73' 179.6(5) . .
F72' C72' C73' C74' -179.1(5) . .
C71' C72' C73' C74' 0.6(9) . .
F73' C73' C74' F74' 0.9(9) . .
C72' C73' C74' F74' 179.9(5) . .
F73' C73' C74' C75' -178.8(6) . .
C72' C73' C74' C75' 0.2(9) . .
F73 C73 C74 F74 3.6(9) . .
C72 C73 C74 F74 -177.2(5) . .
F73 C73 C74 C75 -176.8(5) . .
C72 C73 C74 C75 2.5(9) . .
F74 C74 C75 F75 -1.4(8) . .
C73 C74 C75 F75 178.9(5) . .
F74 C74 C75 C76 178.1(5) . .
C73 C74 C75 C76 -1.5(8) . .
F74' C74' C75' F75' -0.5(9) . .
C73' C74' C75' F75' 179.2(6) . .
F74' C74' C75' C76' 179.5(5) . .
C73' C74' C75' C76' -0.8(9) . .
C72 C71 C76 F76 -177.7(4) . .
Pt1 C71 C76 F76 6.8(6) . .
C72 C71 C76 C75 4.6(7) . .
Pt1 C71 C76 C75 -170.8(4) . .
F75 C75 C76 F76 -0.4(7) . .
C74 C75 C76 F76 -179.9(4) . .
F75 C75 C76 C71 177.3(4) . .
C74 C75 C76 C71 -2.2(8) . .
C72' C71' C76' F76' -179.5(5) . .
Pt2 C71' C76' F76' -0.3(7) . .
C72' C71' C76' C75' 0.1(8) . .
Pt2 C71' C76' C75' 179.3(4) . .
F75' C75' C76' F76' 0.3(8) . .
C74' C75' C76' F76' -179.7(5) . .
F75' C75' C76' C71' -179.3(5) . .
C74' C75' C76' C71' 0.7(9) . .
C86 C81 C82 C83 -0.4(11) . .
C80 C81 C82 C83 178.9(8) . .
C81 C82 C83 C84 0.9(12) . .
C82 C83 C84 C85 -0.7(12) . .
C83 C84 C85 C86 0.1(11) . .
C82 C81 C86 C85 -0.2(10) . .
C80 C81 C86 C85 -179.6(7) . .
C84 C85 C86 C81 0.4(11) . .
C90 C91 C92 C93 175(12) . .
C93 C91 C92 C93 -15(4) 2_766 .
C90 C91 C92 C93 -169(13) . 2_766
C91 C92 C93 C91 62(12) . 2_766
C93 C92 C93 C91 49(10) 2_766 2_766
C91 C92 C93 C93 13(3) . 2_766
C91 C92 C93 C92 13(3) . 2_766
C93 C92 C93 C92 0.000(1) 2_766 2_766
