#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:11:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179279 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/99/4319959.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_4319959
loop_
_publ_author_name
'Wolfgang Mohr'
'Jürgen Stahl'
'Frank Hampel'
'J. A. Gladysz'
_publ_section_title
;
 Bent and Stretched but Not Yet to the Breaking Point: C8-C16 sp Carbon
 Chains That Span Two Platinum Atoms and the First Structurally
 Characterized 1,3,5,7,9,11,13,15-Octayne
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3263
_journal_page_last               3264
_journal_paper_doi               10.1021/ic010309z
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C111 H92 F10 P4 Pt2'
_chemical_formula_weight         2129.91
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.32(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.389(4)
_cell_length_b                   12.114(2)
_cell_length_c                   21.103(4)
_cell_measurement_reflns_used    19183
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.0
_cell_volume                     4948.1(18)
_computing_cell_refinement       Denzo-SMN
_computing_data_collection       Collect
_computing_data_reduction        Denzo-SMN
_computing_publication_material  'SHELXL-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  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0653
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            19183
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    2.954
_exptl_absorpt_correction_T_max  0.6656
_exptl_absorpt_correction_T_min  0.4245
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.574
_refine_diff_density_min         -0.840
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         11299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.068
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0355P)²+4.6431P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                8226
_reflns_number_total             11299
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010309z_1.cif
_cod_data_source_block           js03_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        4948.1(16)
_cod_database_code               4319959
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.262516(8) 1.095132(12) 0.135061(7) 0.02340(6) Uani 1 1 d . . .
P1 P 0.22838(5) 0.91204(9) 0.12603(5) 0.0242(2) Uani 1 1 d . . .
P2 P 0.30857(5) 1.27024(9) 0.15647(5) 0.0273(2) Uani 1 1 d . . .
C1 C 0.3317(2) 1.0625(3) 0.0915(2) 0.0323(10) Uani 1 1 d . . .
C2 C 0.3771(2) 1.0456(4) 0.0641(2) 0.0309(9) Uani 1 1 d . . .
C3 C 0.4272(2) 1.0273(4) 0.0351(2) 0.0330(10) Uani 1 1 d . . .
C4 C 0.4735(2) 1.0096(4) 0.0121(2) 0.0346(10) Uani 1 1 d . . .
C11 C 0.2309(2) 0.8374(4) 0.05172(19) 0.0296(9) Uani 1 1 d . . .
C12 C 0.2209(3) 0.8938(4) -0.0074(2) 0.0417(11) Uani 1 1 d . . .
H12A H 0.2174 0.9720 -0.0080 0.050 Uiso 1 1 calc R . .
C13 C 0.2159(3) 0.8377(5) -0.0660(2) 0.0555(15) Uani 1 1 d . . .
H13A H 0.2085 0.8779 -0.1063 0.067 Uiso 1 1 calc R . .
C14 C 0.2217(3) 0.7244(5) -0.0663(2) 0.0521(14) Uani 1 1 d . . .
C14A C 0.2149(5) 0.6609(6) -0.1308(3) 0.094(3) Uani 1 1 d . . .
H14A H 0.2061 0.7129 -0.1681 0.141 Uiso 1 1 calc R . .
H14B H 0.1765 0.6085 -0.1394 0.141 Uiso 1 1 calc R . .
H14C H 0.2579 0.6206 -0.1261 0.141 Uiso 1 1 calc R . .
C15 C 0.2346(3) 0.6678(4) -0.0067(2) 0.0498(13) Uani 1 1 d . . .
H15A H 0.2412 0.5901 -0.0057 0.060 Uiso 1 1 calc R . .
C16 C 0.2380(2) 0.7239(4) 0.0519(2) 0.0389(11) Uani 1 1 d . . .
H16A H 0.2452 0.6839 0.0922 0.047 Uiso 1 1 calc R . .
C21 C 0.2840(2) 0.8373(4) 0.19714(19) 0.0291(9) Uani 1 1 d . . .
C22 C 0.2651(2) 0.7353(4) 0.2178(2) 0.0355(10) Uani 1 1 d . . .
H22A H 0.2212 0.7043 0.1949 0.043 Uiso 1 1 calc R . .
C23 C 0.3100(3) 0.6798(4) 0.2716(2) 0.0449(12) Uani 1 1 d . . .
H23A H 0.2964 0.6108 0.2850 0.054 Uiso 1 1 calc R . .
C24 C 0.3743(3) 0.7231(4) 0.3060(2) 0.0484(13) Uani 1 1 d . . .
C24A C 0.4235(3) 0.6632(6) 0.3649(3) 0.077(2) Uani 1 1 d . . .
H24A H 0.4027 0.5934 0.3722 0.115 Uiso 1 1 calc R . .
H24B H 0.4330 0.7093 0.4049 0.115 Uiso 1 1 calc R . .
H24C H 0.4668 0.6480 0.3556 0.115 Uiso 1 1 calc R . .
C25 C 0.3924(3) 0.8234(4) 0.2854(2) 0.0511(14) Uani 1 1 d . . .
H25A H 0.4363 0.8542 0.3083 0.061 Uiso 1 1 calc R . .
C26 C 0.3480(3) 0.8803(4) 0.2319(2) 0.0435(12) Uani 1 1 d . . .
H26A H 0.3617 0.9495 0.2191 0.052 Uiso 1 1 calc R . .
C31 C 0.1399(2) 0.8903(3) 0.12585(19) 0.0271(9) Uani 1 1 d . . .
C32 C 0.1235(2) 0.8873(3) 0.1856(2) 0.0317(10) Uani 1 1 d . . .
H32A H 0.1594 0.8857 0.2272 0.038 Uiso 1 1 calc R . .
C33 C 0.0554(2) 0.8866(4) 0.1843(2) 0.0407(11) Uani 1 1 d . . .
H33A H 0.0452 0.8830 0.2252 0.049 Uiso 1 1 calc R . .
C34 C 0.0015(2) 0.8910(4) 0.1247(3) 0.0421(11) Uani 1 1 d . . .
C34A C -0.0735(3) 0.8949(6) 0.1229(3) 0.0684(18) Uani 1 1 d . . .
H34A H -0.0757 0.8931 0.1686 0.103 Uiso 1 1 calc R . .
H34B H -0.0982 0.8311 0.0981 0.103 Uiso 1 1 calc R . .
H34C H -0.0949 0.9631 0.1009 0.103 Uiso 1 1 calc R . .
C35 C 0.0185(2) 0.8925(4) 0.0661(3) 0.0457(12) Uani 1 1 d . . .
H35A H -0.0176 0.8942 0.0246 0.055 Uiso 1 1 calc R . .
C36 C 0.0861(2) 0.8916(4) 0.0660(2) 0.0370(11) Uani 1 1 d . . .
H36A H 0.0959 0.8918 0.0248 0.044 Uiso 1 1 calc R . .
C41 C 0.3324(2) 1.3321(4) 0.0880(2) 0.0315(9) Uani 1 1 d . . .
C42 C 0.3879(3) 1.4034(5) 0.1001(3) 0.0501(13) Uani 1 1 d . . .
H42A H 0.4137 1.4223 0.1447 0.060 Uiso 1 1 calc R . .
C43 C 0.4062(3) 1.4477(6) 0.0469(3) 0.0688(18) Uani 1 1 d . . .
H43A H 0.4450 1.4954 0.0560 0.083 Uiso 1 1 calc R . .
C44 C 0.3689(3) 1.4237(6) -0.0187(3) 0.0659(18) Uani 1 1 d . . .
C44A C 0.3911(4) 1.4718(9) -0.0753(3) 0.123(4) Uani 1 1 d . . .
H44A H 0.4319 1.5184 -0.0567 0.184 Uiso 1 1 calc R . .
H44B H 0.3534 1.5164 -0.1042 0.184 Uiso 1 1 calc R . .
H44C H 0.4021 1.4118 -0.1013 0.184 Uiso 1 1 calc R . .
C45 C 0.3126(3) 1.3542(5) -0.0301(3) 0.0572(15) Uani 1 1 d . . .
H45A H 0.2859 1.3374 -0.0748 0.069 Uiso 1 1 calc R . .
C46 C 0.2942(3) 1.3083(4) 0.0224(2) 0.0458(12) Uani 1 1 d . . .
H46A H 0.2554 1.2605 0.0133 0.055 Uiso 1 1 calc R . .
C51 C 0.2515(2) 1.3696(4) 0.1772(2) 0.0319(10) Uani 1 1 d . . .
C52 C 0.2077(2) 1.4353(4) 0.1267(3) 0.0458(13) Uani 1 1 d . . .
H52A H 0.2126 1.4367 0.0834 0.055 Uiso 1 1 calc R . .
C53 C 0.1567(3) 1.4987(4) 0.1407(3) 0.0485(13) Uani 1 1 d . . .
H53A H 0.1268 1.5424 0.1062 0.058 Uiso 1 1 calc R . .
C54 C 0.1485(3) 1.4996(4) 0.2039(3) 0.0478(13) Uani 1 1 d . . .
C54A C 0.0915(3) 1.5687(5) 0.2160(4) 0.0716(19) Uani 1 1 d . . .
H54A H 0.0929 1.5608 0.2626 0.107 Uiso 1 1 calc R . .
H54B H 0.0466 1.5435 0.1865 0.107 Uiso 1 1 calc R . .
H54C H 0.0982 1.6464 0.2067 0.107 Uiso 1 1 calc R . .
C55 C 0.1931(3) 1.4355(4) 0.2528(3) 0.0422(12) Uani 1 1 d . . .
H55A H 0.1891 1.4360 0.2964 0.051 Uiso 1 1 calc R . .
C56 C 0.2433(2) 1.3707(4) 0.2402(2) 0.0383(11) Uani 1 1 d . . .
H56A H 0.2725 1.3264 0.2748 0.046 Uiso 1 1 calc R . .
C61 C 0.3878(2) 1.2685(4) 0.2270(2) 0.0313(9) Uani 1 1 d . . .
C62 C 0.4100(2) 1.3587(4) 0.2698(2) 0.0453(12) Uani 1 1 d . . .
H62A H 0.3831 1.4243 0.2627 0.054 Uiso 1 1 calc R . .
C63 C 0.4709(3) 1.3529(5) 0.3222(3) 0.0511(13) Uani 1 1 d . . .
H63A H 0.4849 1.4147 0.3510 0.061 Uiso 1 1 calc R . .
C64 C 0.5119(2) 1.2596(4) 0.3338(2) 0.0455(12) Uani 1 1 d . . .
C64A C 0.5782(3) 1.2536(5) 0.3922(3) 0.0666(17) Uani 1 1 d . . .
H64A H 0.5849 1.3231 0.4172 0.100 Uiso 1 1 calc R . .
H64B H 0.6173 1.2411 0.3756 0.100 Uiso 1 1 calc R . .
H64C H 0.5751 1.1926 0.4217 0.100 Uiso 1 1 calc R . .
C65 C 0.4909(2) 1.1712(4) 0.2909(3) 0.0486(13) Uani 1 1 d . . .
H65A H 0.5185 1.1065 0.2976 0.058 Uiso 1 1 calc R . .
C66 C 0.4293(2) 1.1757(4) 0.2376(2) 0.0395(11) Uani 1 1 d . . .
H66A H 0.4159 1.1144 0.2083 0.047 Uiso 1 1 calc R . .
C71 C 0.1870(2) 1.1313(3) 0.1777(2) 0.0272(9) Uani 1 1 d . . .
F72 F 0.10752(14) 1.1721(3) 0.07221(13) 0.0511(7) Uani 1 1 d . . .
C72 C 0.1217(2) 1.1623(4) 0.1392(2) 0.0370(10) Uani 1 1 d . . .
F73 F 0.00380(15) 1.2058(3) 0.12357(19) 0.0787(11) Uani 1 1 d . . .
C73 C 0.0682(2) 1.1809(4) 0.1650(3) 0.0479(13) Uani 1 1 d . . .
F74 F 0.02730(17) 1.1921(3) 0.25742(19) 0.0758(11) Uani 1 1 d . . .
C74 C 0.0795(3) 1.1728(4) 0.2324(3) 0.0483(13) Uani 1 1 d . . .
F75 F 0.15516(18) 1.1358(3) 0.33922(15) 0.0698(10) Uani 1 1 d . . .
C75 C 0.1438(3) 1.1434(4) 0.2729(2) 0.0437(12) Uani 1 1 d . . .
F76 F 0.25786(15) 1.0950(3) 0.28832(12) 0.0509(7) Uani 1 1 d . . .
C76 C 0.1947(2) 1.1233(4) 0.2453(2) 0.0332(10) Uani 1 1 d . . .
C80 C 0.0718(7) 0.020(2) 0.4485(6) 0.162(5) Uani 1 1 d . . .
C81 C 0.0249(11) 0.027(3) 0.4785(9) 0.131(11) Uani 0.50 1 d P . .
C82 C -0.0037(6) 0.1020(8) 0.5060(7) 0.101(3) Uani 1 1 d . . .
C83 C -0.0481(11) 0.080(2) 0.5387(13) 0.120(8) Uani 0.50 1 d P . .
C84 C 0.048(3) 0.105(2) 0.467(2) 0.19(3) Uani 0.50 1 d P . .
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
_geom_angle_publ_flag
C1 Pt1 C71 177.90(16) . . ?
C1 Pt1 P2 88.18(12) . . ?
C71 Pt1 P2 91.90(12) . . ?
C1 Pt1 P1 90.60(12) . . ?
C71 Pt1 P1 89.60(12) . . ?
P2 Pt1 P1 172.28(4) . . ?
C1 Pt1 Pt1 2.34(12) . 3_675 ?
C71 Pt1 Pt1 178.02(11) . 3_675 ?
P2 Pt1 Pt1 86.27(3) . 3_675 ?
P1 Pt1 Pt1 92.32(3) . 3_675 ?
C21 P1 C31 106.93(19) . . ?
C21 P1 C11 106.5(2) . . ?
C31 P1 C11 102.83(19) . . ?
C21 P1 Pt1 108.46(15) . . ?
C31 P1 Pt1 114.23(13) . . ?
C11 P1 Pt1 117.15(14) . . ?
C51 P2 C61 106.3(2) . . ?
C51 P2 C41 105.5(2) . . ?
C61 P2 C41 105.3(2) . . ?
C51 P2 Pt1 113.82(14) . . ?
C61 P2 Pt1 110.57(15) . . ?
C41 P2 Pt1 114.60(15) . . ?
C2 C1 Pt1 177.6(4) . . ?
C1 C2 C3 179.2(5) . . ?
C4 C3 C2 177.1(5) . . ?
C3 C4 C4 178.5(6) . 3_675 ?
C12 C11 C16 118.7(4) . . ?
C12 C11 P1 119.7(3) . . ?
C16 C11 P1 121.4(3) . . ?
C11 C12 C13 120.8(5) . . ?
C14 C13 C12 120.7(5) . . ?
C13 C14 C15 118.8(4) . . ?
C13 C14 C14A 121.4(5) . . ?
C15 C14 C14A 119.8(5) . . ?
C14 C15 C16 120.5(5) . . ?
C11 C16 C15 120.4(4) . . ?
C26 C21 C22 118.2(4) . . ?
C26 C21 P1 119.5(3) . . ?
C22 C21 P1 122.3(3) . . ?
C23 C22 C21 120.4(4) . . ?
C22 C23 C24 121.1(5) . . ?
C25 C24 C23 118.0(4) . . ?
C25 C24 C24A 120.4(5) . . ?
C23 C24 C24A 121.5(5) . . ?
C24 C25 C26 121.6(5) . . ?
C25 C26 C21 120.7(5) . . ?
C36 C31 C32 118.3(4) . . ?
C36 C31 P1 119.9(3) . . ?
C32 C31 P1 121.2(3) . . ?
C33 C32 C31 120.3(4) . . ?
C34 C33 C32 121.6(4) . . ?
C35 C34 C33 117.5(4) . . ?
C35 C34 C34A 120.6(5) . . ?
C33 C34 C34A 121.9(5) . . ?
C36 C35 C34 122.1(4) . . ?
C35 C36 C31 120.2(4) . . ?
C46 C41 C42 118.9(4) . . ?
C46 C41 P2 119.9(3) . . ?
C42 C41 P2 121.1(3) . . ?
C41 C42 C43 120.1(5) . . ?
C44 C43 C42 121.5(5) . . ?
C43 C44 C45 117.8(5) . . ?
C43 C44 C44A 120.0(6) . . ?
C45 C44 C44A 122.2(6) . . ?
C44 C45 C46 121.5(5) . . ?
C41 C46 C45 120.2(5) . . ?
C56 C51 C52 118.8(4) . . ?
C56 C51 P2 120.9(4) . . ?
C52 C51 P2 119.7(4) . . ?
C51 C52 C53 119.4(5) . . ?
C54 C53 C52 121.7(5) . . ?
C55 C54 C53 117.6(4) . . ?
C55 C54 C54A 122.8(5) . . ?
C53 C54 C54A 119.5(5) . . ?
C54 C55 C56 121.9(5) . . ?
C55 C56 C51 120.6(5) . . ?
C66 C61 C62 118.2(4) . . ?
C66 C61 P2 118.9(3) . . ?
C62 C61 P2 122.9(3) . . ?
C63 C62 C61 120.3(5) . . ?
C62 C63 C64 121.7(5) . . ?
C63 C64 C65 118.1(4) . . ?
C63 C64 C64A 121.3(5) . . ?
C65 C64 C64A 120.6(5) . . ?
C64 C65 C66 120.8(5) . . ?
C61 C66 C65 120.8(4) . . ?
C72 C71 C76 113.6(4) . . ?
C72 C71 Pt1 121.2(3) . . ?
C76 C71 Pt1 125.2(3) . . ?
F72 C72 C71 119.2(4) . . ?
F72 C72 C73 117.4(4) . . ?
C71 C72 C73 123.4(4) . . ?
F73 C73 C74 119.6(5) . . ?
F73 C73 C72 120.3(5) . . ?
C74 C73 C72 120.0(4) . . ?
F74 C74 C73 119.9(5) . . ?
F74 C74 C75 121.2(5) . . ?
C73 C74 C75 118.9(4) . . ?
F75 C75 C76 121.8(5) . . ?
F75 C75 C74 119.0(4) . . ?
C76 C75 C74 119.1(4) . . ?
C75 C76 F76 116.4(4) . . ?
C75 C76 C71 124.9(4) . . ?
F76 C76 C71 118.6(4) . . ?
C84 C80 C81 52(3) . . ?
C84 C80 C83 118(3) . 3_556 ?
C81 C80 C83 66(2) . 3_556 ?
C84 C81 C82 77(4) . . ?
C84 C81 C80 62(4) . . ?
C82 C81 C80 139(4) . . ?
C84 C81 C83 120(4) . 3_556 ?
C82 C81 C83 161(3) . 3_556 ?
C80 C81 C83 58.8(16) . 3_556 ?
C84 C81 C82 169(4) . 3_556 ?
C82 C81 C82 112(2) . 3_556 ?
C80 C81 C82 108(3) . 3_556 ?
C83 C81 C82 49.4(18) 3_556 3_556 ?
C84 C81 C81 144(5) . 3_556 ?
C82 C81 C81 66.6(16) . 3_556 ?
C80 C81 C81 153(4) . 3_556 ?
C83 C81 C81 95(4) 3_556 3_556 ?
C82 C81 C81 46(2) 3_556 3_556 ?
C83 C82 C81 124(2) . . ?
C83 C82 C84 169.8(16) . . ?
C81 C82 C84 45.6(17) . . ?
C83 C82 C81 56.8(13) . 3_556 ?
C81 C82 C81 68(2) . 3_556 ?
C84 C82 C81 113.1(14) . 3_556 ?
C82 C83 C80 129(2) . 3_556 ?
C82 C83 C81 73.9(19) . 3_556 ?
C80 C83 C81 54.9(16) 3_556 3_556 ?
C81 C84 C80 66.4(17) . . ?
C81 C84 C82 57(4) . . ?
C80 C84 C82 123(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.951(5) . ?
Pt1 C71 2.059(4) . ?
Pt1 P2 2.3063(12) . ?
Pt1 P1 2.3144(11) . ?
Pt1 Pt1 12.895(3) 3_675 ?
P1 C21 1.813(4) . ?
P1 C31 1.821(4) . ?
P1 C11 1.825(4) . ?
P2 C51 1.820(4) . ?
P2 C61 1.820(4) . ?
P2 C41 1.824(4) . ?
C1 C2 1.252(6) . ?
C2 C3 1.365(6) . ?
C3 C4 1.209(6) . ?
C4 C4 1.351(8) 3_675 ?
C11 C12 1.380(6) . ?
C11 C16 1.383(6) . ?
C12 C13 1.386(6) . ?
C13 C14 1.378(8) . ?
C14 C15 1.384(7) . ?
C14 C14A 1.531(7) . ?
C15 C16 1.393(6) . ?
C21 C26 1.382(6) . ?
C21 C22 1.404(6) . ?
C22 C23 1.387(6) . ?
C23 C24 1.387(7) . ?
C24 C25 1.380(7) . ?
C24 C24A 1.514(7) . ?
C25 C26 1.387(6) . ?
C31 C36 1.389(6) . ?
C31 C32 1.404(6) . ?
C32 C33 1.380(6) . ?
C33 C34 1.386(7) . ?
C34 C35 1.386(7) . ?
C34 C34A 1.518(7) . ?
C35 C36 1.380(7) . ?
C41 C46 1.389(6) . ?
C41 C42 1.383(6) . ?
C42 C43 1.395(7) . ?
C43 C44 1.386(8) . ?
C44 C45 1.382(8) . ?
C44 C44A 1.518(8) . ?
C45 C46 1.393(7) . ?
C51 C56 1.390(6) . ?
C51 C52 1.403(6) . ?
C52 C53 1.397(7) . ?
C53 C54 1.394(7) . ?
C54 C55 1.379(7) . ?
C54 C54A 1.518(7) . ?
C55 C56 1.382(7) . ?
C61 C66 1.383(6) . ?
C61 C62 1.399(6) . ?
C62 C63 1.380(7) . ?
C63 C64 1.381(7) . ?
C64 C65 1.382(7) . ?
C64 C64A 1.518(7) . ?
C65 C66 1.398(7) . ?
C71 C72 1.377(6) . ?
C71 C76 1.389(6) . ?
F72 C72 1.356(5) . ?
C72 C73 1.380(7) . ?
F73 C73 1.363(6) . ?
C73 C74 1.371(7) . ?
F74 C74 1.350(5) . ?
C74 C75 1.368(7) . ?
F75 C75 1.348(5) . ?
C75 C76 1.362(6) . ?
F76 C76 1.366(5) . ?
C80 C84 1.25(4) . ?
C80 C81 1.30(2) . ?
C80 C83 1.36(3) 3_556 ?
C81 C84 1.12(5) . ?
C81 C82 1.31(3) . ?
C81 C83 1.46(4) 3_556 ?
C81 C82 1.68(4) 3_556 ?
C81 C81 1.69(6) 3_556 ?
C82 C83 1.33(3) . ?
C82 C84 1.53(6) . ?
C82 C81 1.68(4) 3_556 ?
C83 C80 1.36(3) 3_556 ?
C83 C81 1.46(4) 3_556 ?
