#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/49/4074903.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_4074903
loop_
_publ_author_name
'Pantcheva, Ivayla'
'Osakada, Kohtaro'
_publ_section_title
;
 Synthesis and Reactivity of a Platinum(II) Complex with a Chelating
 Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic
 Acid
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1735
_journal_paper_doi               10.1021/om0509903
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C64 H56 F12 O9 P4 Pt2 '
_chemical_formula_sum            'C64 H56 F12 O9 P4 Pt2'
_chemical_formula_weight         1711.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.4409(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.9162(16)
_cell_length_b                   18.975(2)
_cell_length_c                   22.898(3)
_cell_measurement_reflns_used    16517
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6469.2(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.066
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            47277
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.492
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3344.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.93
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.915
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     876
_refine_ls_number_reflns         10643
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[1.0000σ(Fo²)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0457
_reflns_number_gt                10533
_reflns_number_total             14530
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om0509903si20060114_115337.cif
_cod_data_source_block           form3
_cod_original_cell_volume        6469.0(12)
_cod_original_formula_sum        'C64 H56 F12 O9 P4 Pt2 '
_cod_database_code               4074903
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_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
Pt(1) Pt 0.27535(2) 0.465680(10) 1.329960(10) 0.01869(6) Uani 1.00 1 d .
Pt(2) Pt 0.213360(10) 0.394660(10) 1.030510(10) 0.01648(5) Uani 1.00 1 d .
P(1) P 0.31427(11) 0.36258(9) 1.36975(6) 0.0203(4) Uani 1.00 1 d .
P(2) P 0.14368(11) 0.45017(9) 1.36721(6) 0.0220(4) Uani 1.00 1 d .
P(3) P 0.31715(11) 0.42889(9) 1.09770(6) 0.0213(4) Uani 1.00 1 d .
P(4) P 0.13876(11) 0.35493(9) 1.10415(6) 0.0198(4) Uani 1.00 1 d .
F(1) F 0.6125(3) 0.5338(4) 1.3045(2) 0.106(2) Uani 1.00 1 d .
F(2) F 0.5144(3) 0.5678(2) 1.2420(2) 0.0633(17) Uani 1.00 1 d .
F(3) F 0.5598(4) 0.4629(3) 1.2381(2) 0.083(2) Uani 1.00 1 d .
F(4) F 0.1487(4) 0.6938(4) 1.2945(4) 0.126(3) Uani 1.00 1 d .
F(5) F 0.2701(4) 0.7369(3) 1.2737(4) 0.135(3) Uani 1.00 1 d .
F(6) F 0.1991(7) 0.6687(4) 1.2180(3) 0.138(3) Uani 1.00 1 d .
F(7) F 0.3591(6) 0.4941(4) 0.8712(2) 0.140(3) Uani 1.00 1 d .
F(8) F 0.2338(5) 0.4686(5) 0.8409(3) 0.143(3) Uani 1.00 1 d .
F(9) F 0.3375(5) 0.4049(3) 0.8225(2) 0.106(2) Uani 1.00 1 d .
F(10) F -0.0418(3) 0.3816(2) 0.8995(2) 0.0613(16) Uani 1.00 1 d .
F(11) F 0.0498(3) 0.3204(3) 0.85249(19) 0.0649(17) Uani 1.00 1 d .
F(12) F -0.0508(3) 0.2697(2) 0.8993(2) 0.0611(16) Uani 1.00 1 d .
O(1) O 0.3917(2) 0.4811(2) 1.28604(18) 0.0232(11) Uani 1.00 1 d .
O(2) O 0.4854(3) 0.4811(3) 1.3662(2) 0.0371(14) Uani 1.00 1 d .
O(3) O 0.2296(2) 0.5592(2) 1.2896(2) 0.0283(12) Uani 1.00 1 d .
O(4) O 0.3346(3) 0.6281(2) 1.3363(2) 0.0472(17) Uani 1.00 1 d .
O(5) O 0.2764(2) 0.4424(2) 0.96147(18) 0.0209(11) Uani 1.00 1 d .
O(6) O 0.2896(3) 0.3376(2) 0.9168(2) 0.0365(14) Uani 1.00 1 d .
O(7) O 0.1122(2) 0.3780(2) 0.96534(18) 0.0212(11) Uani 1.00 1 d .
O(8) O 0.0833(3) 0.2633(2) 0.9810(2) 0.0302(13) Uani 1.00 1 d .
O(9) O 0.2672(6) 0.9563(5) 0.0833(4) 0.112(3) Uani 1.00 1 d .
C(1) C 0.4661(4) 0.4897(3) 1.3147(2) 0.0247(16) Uani 1.00 1 d .
C(2) C 0.5407(4) 0.5129(4) 1.2751(3) 0.036(2) Uani 1.00 1 d .
C(3) C 0.2697(4) 0.6169(3) 1.3027(3) 0.033(2) Uani 1.00 1 d .
C(4) C 0.2243(5) 0.6801(4) 1.2715(4) 0.044(2) Uani 1.00 1 d .
C(5) C 0.2096(3) 0.3172(3) 1.3846(2) 0.0248(17) Uani 1.00 1 d .
C(6) C 0.1504(4) 0.3716(3) 1.4136(2) 0.0261(17) Uani 1.00 1 d .
C(7) C 0.3758(4) 0.3654(3) 1.4404(2) 0.0248(17) Uani 1.00 1 d .
C(8) C 0.4036(4) 0.3024(4) 1.4664(3) 0.035(2) Uani 1.00 1 d .
C(9) C 0.4494(5) 0.3024(4) 1.5215(3) 0.038(2) Uani 1.00 1 d .
C(10) C 0.4651(4) 0.3649(4) 1.5500(3) 0.034(2) Uani 1.00 1 d .
C(11) C 0.4366(4) 0.4282(4) 1.5252(2) 0.0293(18) Uani 1.00 1 d .
C(12) C 0.3912(4) 0.4285(3) 1.4704(2) 0.0245(17) Uani 1.00 1 d .
C(13) C 0.3789(4) 0.3076(3) 1.3233(2) 0.0227(16) Uani 1.00 1 d .
C(14) C 0.3370(4) 0.2633(3) 1.2814(2) 0.0289(18) Uani 1.00 1 d .
C(15) C 0.3877(5) 0.2251(4) 1.2444(2) 0.036(2) Uani 1.00 1 d .
C(16) C 0.4797(5) 0.2310(4) 1.2473(3) 0.034(2) Uani 1.00 1 d .
C(17) C 0.5221(4) 0.2742(3) 1.2883(3) 0.0311(19) Uani 1.00 1 d .
C(18) C 0.4725(4) 0.3130(3) 1.3270(2) 0.0276(18) Uani 1.00 1 d .
C(19) C 0.1054(4) 0.5234(3) 1.4088(2) 0.0255(17) Uani 1.00 1 d .
C(20) C 0.0146(5) 0.5295(5) 1.4209(3) 0.046(2) Uani 1.00 1 d .
C(21) C -0.0119(6) 0.5885(5) 1.4524(3) 0.052(2) Uani 1.00 1 d .
C(22) C 0.0481(7) 0.6377(5) 1.4729(3) 0.057(2) Uani 1.00 1 d .
C(23) C 0.1358(6) 0.6309(4) 1.4612(3) 0.050(2) Uani 1.00 1 d .
C(24) C 0.1656(5) 0.5742(4) 1.4300(3) 0.037(2) Uani 1.00 1 d .
C(25) C 0.0543(3) 0.4357(3) 1.3111(2) 0.0239(16) Uani 1.00 1 d .
C(26) C 0.0108(4) 0.3711(4) 1.3044(3) 0.0321(19) Uani 1.00 1 d .
C(27) C -0.0580(4) 0.3617(4) 1.2600(3) 0.040(2) Uani 1.00 1 d .
C(28) C -0.0837(4) 0.4182(4) 1.2247(3) 0.038(2) Uani 1.00 1 d .
C(29) C -0.0398(4) 0.4819(4) 1.2313(3) 0.037(2) Uani 1.00 1 d .
C(30) C 0.0296(4) 0.4910(4) 1.2742(2) 0.0312(19) Uani 1.00 1 d .
C(31) C 0.2902(4) 0.4011(3) 0.9184(2) 0.0256(17) Uani 1.00 1 d .
C(32) C 0.3068(4) 0.4424(4) 0.8627(3) 0.033(2) Uani 1.00 1 d .
C(33) C 0.0727(3) 0.3189(3) 0.9559(2) 0.0221(16) Uani 1.00 1 d .
C(34) C 0.0065(4) 0.3237(4) 0.9018(3) 0.0310(19) Uani 1.00 1 d .
C(35) C 0.2819(4) 0.4044(3) 1.1704(2) 0.0280(18) Uani 1.00 1 d .
C(36) C 0.1785(4) 0.4062(3) 1.1681(2) 0.0275(18) Uani 1.00 1 d .
C(37) C 0.4291(4) 0.3947(3) 1.0915(2) 0.0243(16) Uani 1.00 1 d .
C(38) C 0.4734(4) 0.3552(4) 1.1343(3) 0.035(2) Uani 1.00 1 d .
C(39) C 0.5592(4) 0.3294(4) 1.1266(3) 0.046(2) Uani 1.00 1 d .
C(40) C 0.5996(4) 0.3437(4) 1.0761(4) 0.049(2) Uani 1.00 1 d .
C(41) C 0.5564(4) 0.3841(5) 1.0325(4) 0.051(2) Uani 1.00 1 d .
C(42) C 0.4706(4) 0.4093(4) 1.0402(3) 0.036(2) Uani 1.00 1 d .
C(43) C 0.3280(4) 0.5238(3) 1.0978(2) 0.0284(18) Uani 1.00 1 d .
C(44) C 0.4088(5) 0.5542(4) 1.1228(4) 0.052(2) Uani 1.00 1 d .
C(45) C 0.4165(7) 0.6267(5) 1.1250(4) 0.071(3) Uani 1.00 1 d .
C(46) C 0.3467(6) 0.6697(4) 1.1015(3) 0.052(2) Uani 1.00 1 d .
C(47) C 0.2697(5) 0.6396(4) 1.0769(3) 0.037(2) Uani 1.00 1 d .
C(48) C 0.2599(4) 0.5672(4) 1.0750(2) 0.0303(19) Uani 1.00 1 d .
C(49) C 0.1602(3) 0.2641(3) 1.1261(2) 0.0218(16) Uani 1.00 1 d .
C(50) C 0.1219(4) 0.2379(4) 1.1757(2) 0.0286(18) Uani 1.00 1 d .
C(51) C 0.1405(4) 0.1700(4) 1.1943(3) 0.036(2) Uani 1.00 1 d .
C(52) C 0.1971(4) 0.1275(4) 1.1627(3) 0.035(2) Uani 1.00 1 d .
C(53) C 0.2343(4) 0.1533(3) 1.1130(3) 0.033(2) Uani 1.00 1 d .
C(54) C 0.2159(4) 0.2216(3) 1.0946(2) 0.0273(17) Uani 1.00 1 d .
C(55) C 0.0198(3) 0.3683(3) 1.0925(2) 0.0200(15) Uani 1.00 1 d .
C(56) C -0.0430(4) 0.3144(3) 1.0938(2) 0.0263(17) Uani 1.00 1 d .
C(57) C -0.1336(4) 0.3293(4) 1.0815(3) 0.0320(19) Uani 1.00 1 d .
C(58) C -0.1612(4) 0.3978(4) 1.0691(3) 0.0319(19) Uani 1.00 1 d .
C(59) C -0.0985(4) 0.4521(3) 1.0670(3) 0.0295(18) Uani 1.00 1 d .
C(60) C -0.0079(4) 0.4372(3) 1.0784(2) 0.0257(17) Uani 1.00 1 d .
C(61) C 0.3283(5) 0.8968(5) 0.0633(4) 0.057(2) Uani 1.00 1 d .
C(62) C 0.2990(7) 0.8368(4) 0.0887(6) 0.101(4) Uani 1.00 1 d .
C(63) C 0.2414(11) 0.8505(8) 0.1321(8) 0.148(7) Uani 1.00 1 d .
C(64) C 0.2074(10) 0.9160(6) 0.1243(7) 0.119(6) Uani 1.00 1 d .
H(1) H 0.1804 0.3008 1.3491 0.030 Uiso 1.00 1 c R
H(2) H 0.2220 0.2784 1.4100 0.030 Uiso 1.00 1 c R
H(3) H 0.1764 0.3835 1.4511 0.031 Uiso 1.00 1 c R
H(4) H 0.0919 0.3530 1.4173 0.031 Uiso 1.00 1 c R
H(5) H 0.3914 0.2594 1.4462 0.042 Uiso 1.00 1 c R
H(6) H 0.4697 0.2594 1.5390 0.045 Uiso 1.00 1 c R
H(7) H 0.4961 0.3652 1.5875 0.041 Uiso 1.00 1 c R
H(8) H 0.4481 0.4712 1.5454 0.036 Uiso 1.00 1 c R
H(9) H 0.3699 0.4715 1.4533 0.030 Uiso 1.00 1 c R
H(10) H 0.2733 0.2600 1.2784 0.034 Uiso 1.00 1 c R
H(11) H 0.3589 0.1942 1.2165 0.043 Uiso 1.00 1 c R
H(12) H 0.5144 0.2052 1.2212 0.042 Uiso 1.00 1 c R
H(13) H 0.5856 0.2786 1.2903 0.038 Uiso 1.00 1 c R
H(14) H 0.5017 0.3424 1.3558 0.033 Uiso 1.00 1 c R
H(15) H -0.0275 0.4945 1.4077 0.056 Uiso 1.00 1 c R
H(16) H -0.0734 0.5944 1.4598 0.063 Uiso 1.00 1 c R
H(17) H 0.0285 0.6764 1.4952 0.068 Uiso 1.00 1 c R
H(18) H 0.1771 0.6661 1.4750 0.060 Uiso 1.00 1 c R
H(19) H 0.2273 0.5698 1.4224 0.044 Uiso 1.00 1 c R
H(20) H 0.0284 0.3331 1.3295 0.038 Uiso 1.00 1 c R
H(21) H -0.0877 0.3176 1.2550 0.048 Uiso 1.00 1 c R
H(22) H -0.1309 0.4129 1.1953 0.046 Uiso 1.00 1 c R
H(23) H -0.0577 0.5202 1.2066 0.044 Uiso 1.00 1 c R
H(24) H 0.0606 0.5346 1.2780 0.038 Uiso 1.00 1 c R
H(25) H 0.3020 0.3580 1.1798 0.033 Uiso 1.00 1 c R
H(26) H 0.3066 0.4365 1.1989 0.033 Uiso 1.00 1 c R
H(27) H 0.1583 0.4535 1.1643 0.033 Uiso 1.00 1 c R
H(28) H 0.1570 0.3862 1.2026 0.033 Uiso 1.00 1 c R
H(29) H 0.4447 0.3460 1.1694 0.041 Uiso 1.00 1 c R
H(30) H 0.5898 0.3026 1.1567 0.055 Uiso 1.00 1 c R
H(31) H 0.6575 0.3251 1.0704 0.059 Uiso 1.00 1 c R
H(32) H 0.5857 0.3950 0.9979 0.062 Uiso 1.00 1 c R
H(33) H 0.4397 0.4360 1.0103 0.044 Uiso 1.00 1 c R
H(34) H 0.4567 0.5248 1.1372 0.060 Uiso 1.00 1 c R
H(35) H 0.4690 0.6479 1.1427 0.082 Uiso 1.00 1 c R
H(36) H 0.3532 0.7195 1.1021 0.061 Uiso 1.00 1 c R
H(37) H 0.2224 0.6692 1.0618 0.045 Uiso 1.00 1 c R
H(38) H 0.2066 0.5467 1.0576 0.037 Uiso 1.00 1 c R
H(39) H 0.0832 0.2668 1.1968 0.034 Uiso 1.00 1 c R
H(40) H 0.1143 0.1520 1.2281 0.044 Uiso 1.00 1 c R
H(41) H 0.2102 0.0809 1.1757 0.042 Uiso 1.00 1 c R
H(42) H 0.2727 0.1242 1.0918 0.040 Uiso 1.00 1 c R
H(43) H 0.2415 0.2395 1.0606 0.033 Uiso 1.00 1 c R
H(44) H -0.0243 0.2677 1.1030 0.032 Uiso 1.00 1 c R
H(45) H -0.1769 0.2926 1.0818 0.039 Uiso 1.00 1 c R
H(46) H -0.2233 0.4076 1.0616 0.039 Uiso 1.00 1 c R
H(47) H -0.1181 0.4988 1.0585 0.036 Uiso 1.00 1 c R
H(48) H 0.0354 0.4737 1.0762 0.031 Uiso 1.00 1 c R
H(49) H 0.3244 0.8929 0.0219 0.068 Uiso 1.00 1 c R
H(50) H 0.3887 0.9058 0.0766 0.068 Uiso 1.00 1 c R
H(51) H 0.2667 0.8100 0.0593 0.126 Uiso 1.00 1 c R
H(52) H 0.3492 0.8104 0.1039 0.126 Uiso 1.00 1 c R
H(53) H 0.1945 0.8165 0.1307 0.181 Uiso 1.00 1 c R
H(54) H 0.2751 0.8470 0.1685 0.181 Uiso 1.00 1 c R
H(55) H 0.2099 0.9394 0.1611 0.147 Uiso 1.00 1 c R
H(56) H 0.1468 0.9136 0.1091 0.147 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.703 8.390
;
International Tables for Crystallography
(1992, 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_publ_flag
P(1) Pt(1) P(2) 86.60(6) yes
P(1) Pt(1) O(1) 96.74(13) yes
P(1) Pt(1) O(3) 175.55(12) yes
P(2) Pt(1) O(1) 173.74(11) no
P(2) Pt(1) O(3) 90.53(13) yes
O(1) Pt(1) O(3) 85.80(17) yes
P(3) Pt(2) P(4) 86.15(6) no
P(3) Pt(2) O(5) 94.05(11) no
P(3) Pt(2) O(7) 171.65(13) no
P(4) Pt(2) O(5) 173.85(12) no
P(4) Pt(2) O(7) 96.83(12) no
O(5) Pt(2) O(7) 82.14(16) no
Pt(1) P(1) C(5) 106.6(2) no
Pt(1) P(1) C(7) 116.5(2) no
Pt(1) P(1) C(13) 113.7(2) no
C(5) P(1) C(7) 103.9(3) no
C(5) P(1) C(13) 109.1(3) no
C(7) P(1) C(13) 106.4(2) no
Pt(1) P(2) C(6) 108.3(2) no
Pt(1) P(2) C(19) 114.8(2) no
Pt(1) P(2) C(25) 112.3(2) no
C(6) P(2) C(19) 109.4(3) no
C(6) P(2) C(25) 107.4(3) no
C(19) P(2) C(25) 104.4(3) no
Pt(2) P(3) C(35) 109.2(2) no
Pt(2) P(3) C(37) 116.8(2) no
Pt(2) P(3) C(43) 110.6(2) no
C(35) P(3) C(37) 107.3(3) no
C(35) P(3) C(43) 106.4(3) no
C(37) P(3) C(43) 105.9(3) no
Pt(2) P(4) C(36) 106.0(2) no
Pt(2) P(4) C(49) 116.5(2) no
Pt(2) P(4) C(55) 112.1(2) no
C(36) P(4) C(49) 103.9(3) no
C(36) P(4) C(55) 108.3(3) no
C(49) P(4) C(55) 109.3(2) no
Pt(1) O(1) C(1) 120.0(3) no
Pt(1) O(3) C(3) 119.2(4) no
Pt(2) O(5) C(31) 114.5(4) no
Pt(2) O(7) C(33) 124.1(3) no
C(61) O(9) C(64) 101.1(8) no
O(1) C(1) O(2) 129.7(6) no
O(1) C(1) C(2) 112.0(5) no
O(2) C(1) C(2) 118.2(5) no
F(1) C(2) F(2) 105.3(7) no
F(1) C(2) F(3) 110.6(6) no
F(1) C(2) C(1) 112.8(6) no
F(2) C(2) F(3) 105.4(6) no
F(2) C(2) C(1) 111.0(6) no
F(3) C(2) C(1) 111.4(6) no
O(3) C(3) O(4) 130.0(6) no
O(3) C(3) C(4) 112.0(6) no
O(4) C(3) C(4) 118.0(6) no
F(4) C(4) F(5) 106.8(8) no
F(4) C(4) F(6) 102.1(8) no
F(4) C(4) C(3) 109.9(7) no
F(5) C(4) F(6) 107.9(8) no
F(5) C(4) C(3) 115.0(7) no
F(6) C(4) C(3) 114.2(7) no
P(1) C(5) C(6) 106.4(4) no
P(2) C(6) C(5) 108.1(4) no
P(1) C(7) C(8) 118.6(5) no
P(1) C(7) C(12) 121.7(5) no
C(8) C(7) C(12) 119.6(6) no
C(7) C(8) C(9) 120.2(6) no
C(8) C(9) C(10) 119.4(7) no
C(9) C(10) C(11) 121.1(6) no
C(10) C(11) C(12) 119.8(6) no
C(7) C(12) C(11) 119.9(6) no
P(1) C(13) C(14) 121.2(4) no
P(1) C(13) C(18) 119.3(4) no
C(14) C(13) C(18) 119.4(6) no
C(13) C(14) C(15) 120.1(6) no
C(14) C(15) C(16) 120.7(6) no
C(15) C(16) C(17) 120.0(6) no
C(16) C(17) C(18) 120.6(6) no
C(13) C(18) C(17) 119.2(6) no
P(2) C(19) C(20) 120.6(5) no
P(2) C(19) C(24) 120.2(5) no
C(20) C(19) C(24) 119.2(6) no
C(19) C(20) C(21) 118.2(7) no
C(20) C(21) C(22) 121.8(8) no
C(21) C(22) C(23) 119.3(8) no
C(22) C(23) C(24) 121.4(8) no
C(19) C(24) C(23) 120.0(7) no
P(2) C(25) C(26) 122.0(5) no
P(2) C(25) C(30) 118.4(5) no
C(26) C(25) C(30) 119.7(5) no
C(25) C(26) C(27) 120.4(6) no
C(26) C(27) C(28) 119.0(7) no
C(27) C(28) C(29) 120.2(6) no
C(28) C(29) C(30) 120.9(7) no
C(25) C(30) C(29) 119.7(7) no
O(5) C(31) O(6) 129.2(6) no
O(5) C(31) C(32) 111.6(6) no
O(6) C(31) C(32) 119.1(6) no
F(7) C(32) F(8) 105.3(8) no
F(7) C(32) F(9) 107.5(7) no
F(7) C(32) C(31) 113.5(6) no
F(8) C(32) F(9) 105.8(7) no
F(8) C(32) C(31) 110.5(6) no
F(9) C(32) C(31) 113.6(6) no
O(7) C(33) O(8) 129.7(5) no
O(7) C(33) C(34) 110.5(5) no
O(8) C(33) C(34) 119.7(6) no
F(10) C(34) F(11) 107.3(6) no
F(10) C(34) F(12) 107.1(5) no
F(10) C(34) C(33) 114.0(6) no
F(11) C(34) F(12) 105.5(6) no
F(11) C(34) C(33) 111.0(5) no
F(12) C(34) C(33) 111.6(6) no
P(3) C(35) C(36) 107.7(4) no
P(4) C(36) C(35) 107.0(4) no
P(3) C(37) C(38) 123.2(5) no
P(3) C(37) C(42) 117.2(5) no
C(38) C(37) C(42) 119.5(6) no
C(37) C(38) C(39) 120.7(7) no
C(38) C(39) C(40) 119.5(7) no
C(39) C(40) C(41) 120.7(7) no
C(40) C(41) C(42) 119.4(8) no
C(37) C(42) C(41) 120.1(7) no
P(3) C(43) C(44) 118.5(5) no
P(3) C(43) C(48) 121.8(5) no
C(44) C(43) C(48) 119.7(6) no
C(43) C(44) C(45) 119.0(7) no
C(44) C(45) C(46) 120.4(8) no
C(45) C(46) C(47) 119.9(8) no
C(46) C(47) C(48) 120.7(7) no
C(43) C(48) C(47) 120.3(6) no
P(4) C(49) C(50) 119.4(5) no
P(4) C(49) C(54) 120.5(4) no
C(50) C(49) C(54) 120.1(6) no
C(49) C(50) C(51) 120.1(6) no
C(50) C(51) C(52) 119.6(6) no
C(51) C(52) C(53) 120.4(7) no
C(52) C(53) C(54) 119.9(6) no
C(49) C(54) C(53) 119.9(6) no
P(4) C(55) C(56) 123.7(5) no
P(4) C(55) C(60) 116.1(4) no
C(56) C(55) C(60) 120.1(5) no
C(55) C(56) C(57) 119.6(6) no
C(56) C(57) C(58) 120.3(6) no
C(57) C(58) C(59) 120.5(6) no
C(58) C(59) C(60) 119.3(6) no
C(55) C(60) C(59) 120.2(6) no
O(9) C(61) C(62) 106.0(8) no
C(61) C(62) C(63) 112.4(10) no
C(62) C(63) C(64) 108.9(14) no
O(9) C(64) C(63) 108.1(13) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt(1) P(1) 2.2205(16) yes
Pt(1) P(2) 2.2074(16) yes
Pt(1) O(1) 2.078(4) yes
Pt(1) O(3) 2.096(4) yes
Pt(2) P(3) 2.2135(15) no
Pt(2) P(4) 2.2079(16) no
Pt(2) O(5) 2.094(4) no
Pt(2) O(7) 2.081(3) no
P(1) C(5) 1.833(6) no
P(1) C(7) 1.811(6) no
P(1) C(13) 1.809(6) no
P(2) C(6) 1.830(7) no
P(2) C(19) 1.797(6) no
P(2) C(25) 1.816(6) no
P(3) C(35) 1.836(6) no
P(3) C(37) 1.805(6) no
P(3) C(43) 1.809(7) no
P(4) C(36) 1.828(6) no
P(4) C(49) 1.818(6) no
P(4) C(55) 1.797(6) no
F(1) C(2) 1.292(9) no
F(2) C(2) 1.333(9) no
F(3) C(2) 1.315(10) no
F(4) C(4) 1.299(11) no
F(5) C(4) 1.276(11) no
F(6) C(4) 1.279(11) no
F(7) C(32) 1.262(12) no
F(8) C(32) 1.271(10) no
F(9) C(32) 1.269(10) no
F(10) C(34) 1.312(8) no
F(11) C(34) 1.336(8) no
F(12) C(34) 1.334(8) no
O(1) C(1) 1.264(7) no
O(2) C(1) 1.208(7) no
O(3) C(3) 1.275(8) no
O(4) C(3) 1.219(9) no
O(5) C(31) 1.286(8) no
O(6) C(31) 1.206(9) no
O(7) C(33) 1.280(8) no
O(8) C(33) 1.207(8) no
O(9) C(61) 1.538(14) no
O(9) C(64) 1.537(19) no
C(1) C(2) 1.541(10) no
C(3) C(4) 1.532(11) no
C(5) C(6) 1.535(9) no
C(7) C(8) 1.389(10) no
C(7) C(12) 1.393(9) no
C(8) C(9) 1.399(10) no
C(9) C(10) 1.368(11) no
C(10) C(11) 1.384(11) no
C(11) C(12) 1.390(8) no
C(13) C(14) 1.396(9) no
C(13) C(18) 1.397(8) no
C(14) C(15) 1.375(10) no
C(15) C(16) 1.376(10) no
C(16) C(17) 1.371(10) no
C(17) C(18) 1.396(9) no
C(19) C(20) 1.403(10) no
C(19) C(24) 1.385(10) no
C(20) C(21) 1.401(13) no
C(21) C(22) 1.358(14) no
C(22) C(23) 1.356(14) no
C(23) C(24) 1.380(12) no
C(25) C(26) 1.391(10) no
C(25) C(30) 1.384(10) no
C(26) C(27) 1.412(10) no
C(27) C(28) 1.383(11) no
C(28) C(29) 1.378(12) no
C(29) C(30) 1.394(9) no
C(31) C(32) 1.531(10) no
C(33) C(34) 1.538(8) no
C(35) C(36) 1.540(9) no
C(37) C(38) 1.371(9) no
C(37) C(42) 1.386(10) no
C(38) C(39) 1.391(10) no
C(39) C(40) 1.364(12) no
C(40) C(41) 1.386(12) no
C(41) C(42) 1.386(10) no
C(43) C(44) 1.423(10) no
C(43) C(48) 1.385(9) no
C(44) C(45) 1.382(12) no
C(45) C(46) 1.404(13) no
C(46) C(47) 1.372(11) no
C(47) C(48) 1.383(10) no
C(49) C(50) 1.394(9) no
C(49) C(54) 1.391(9) no
C(50) C(51) 1.379(11) no
C(51) C(52) 1.400(10) no
C(52) C(53) 1.385(10) no
C(53) C(54) 1.385(10) no
C(55) C(56) 1.388(9) no
C(55) C(60) 1.403(9) no
C(56) C(57) 1.392(8) no
C(57) C(58) 1.387(10) no
C(58) C(59) 1.394(10) no
C(59) C(60) 1.390(9) no
C(61) C(62) 1.361(14) no
C(62) C(63) 1.38(2) no
C(63) C(64) 1.35(2) no
