#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/49/4074901.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_4074901
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         'C57 H51 B3 O4.50 P3 Pt1.50 '
_chemical_formula_sum            'C57 H51 B3 O4.5 P3 Pt1.5'
_chemical_formula_weight         1226.01
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 123.706(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   30.007(4)
_cell_length_b                   15.3558(11)
_cell_length_c                   26.908(6)
_cell_measurement_reflns_used    16270
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     10314(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.030
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            36648
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.194
_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    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4848.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         31.00
_refine_diff_density_min         -6.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     674
_refine_ls_number_reflns         10126
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0006Fo² + 1.0000σ(Fo²)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0373
_reflns_number_gt                10092
_reflns_number_total             11448
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om0509903si20060114_115337.cif
_cod_data_source_block           form1
_cod_original_formula_sum        'C57 H51 B3 O4.50 P3 Pt1.50 '
_cod_database_code               4074901
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+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 0.2107 0.732730(10) 0.1819 0.02331(3) Uani 1.00 1 d .
Pt(2) Pt 0.0000 0.567180(10) 0.2500 0.02467(4) Uani 1.00 2 d S
P(1) P 0.24944(4) 0.65067(5) 0.14852(4) 0.0256(2) Uani 1.00 1 d .
P(2) P 0.25648(4) 0.65617(6) 0.26551(4) 0.0263(2) Uani 1.00 1 d .
P(3) P -0.02155(3) 0.67358(5) 0.18416(3) 0.02288(18) Uani 1.00 1 d .
O(1) O 0.17034(10) 0.80292(17) 0.10444(10) 0.0321(6) Uani 1.00 1 d .
O(2) O 0.17588(10) 0.80168(17) 0.21614(10) 0.0322(6) Uani 1.00 1 d .
O(3) O 0.12506(9) 0.90070(14) 0.13330(10) 0.0283(5) Uani 1.00 1 d .
O(4) O -0.01096(12) 0.47318(17) 0.19051(11) 0.0393(7) Uani 1.00 1 d .
O(5) O 0.0000 0.3481(2) 0.2500 0.0387(10) Uani 1.00 2 d S
C(1) C 0.11478(13) 0.9261(2) 0.03508(13) 0.0297(8) Uani 1.00 1 d .
C(2) C 0.13182(19) 0.9097(3) -0.00348(18) 0.0541(13) Uani 1.00 1 d .
C(3) C 0.1107(2) 0.9564(3) -0.0561(2) 0.0635(16) Uani 1.00 1 d .
C(4) C 0.07270(18) 1.0198(2) -0.07154(17) 0.0468(11) Uani 1.00 1 d .
C(5) C 0.05460(17) 1.0352(2) -0.03522(17) 0.0432(10) Uani 1.00 1 d .
C(6) C 0.07613(14) 0.9890(2) 0.01781(14) 0.0347(9) Uani 1.00 1 d .
C(7) C 0.11566(12) 0.9088(2) 0.22121(12) 0.0226(7) Uani 1.00 1 d .
C(8) C 0.07621(12) 0.9733(2) 0.19392(13) 0.0278(8) Uani 1.00 1 d .
C(9) C 0.05638(14) 1.0130(2) 0.22437(16) 0.0348(9) Uani 1.00 1 d .
C(10) C 0.07590(14) 0.9896(2) 0.28271(16) 0.0358(9) Uani 1.00 1 d .
C(11) C 0.11464(14) 0.9257(2) 0.31036(16) 0.0332(9) Uani 1.00 1 d .
C(12) C 0.13384(12) 0.8851(2) 0.27960(13) 0.0283(8) Uani 1.00 1 d .
C(13) C 0.28757(16) 0.5642(2) 0.20321(14) 0.0320(9) Uani 1.00 1 d .
C(14) C 0.31052(14) 0.5993(2) 0.26640(14) 0.0316(8) Uani 1.00 1 d .
C(15) C 0.29639(13) 0.7071(2) 0.13759(14) 0.0299(8) Uani 1.00 1 d .
C(16) C 0.35100(16) 0.7017(2) 0.17855(17) 0.0395(10) Uani 1.00 1 d .
C(17) C 0.38574(18) 0.7466(3) 0.1692(2) 0.0506(12) Uani 1.00 1 d .
C(18) C 0.36576(19) 0.7960(3) 0.1186(2) 0.0598(14) Uani 1.00 1 d .
C(19) C 0.3114(2) 0.8026(3) 0.0780(2) 0.0623(15) Uani 1.00 1 d .
C(20) C 0.27653(18) 0.7583(2) 0.08711(19) 0.0455(11) Uani 1.00 1 d .
C(21) C 0.20664(16) 0.5950(2) 0.07787(14) 0.0333(9) Uani 1.00 1 d .
C(22) C 0.2285(2) 0.5333(2) 0.05926(19) 0.0474(12) Uani 1.00 1 d .
C(23) C 0.1963(2) 0.4921(3) 0.0049(2) 0.0649(16) Uani 1.00 1 d .
C(24) C 0.1432(2) 0.5117(3) -0.0312(2) 0.0650(16) Uani 1.00 1 d .
C(25) C 0.1210(2) 0.5719(3) -0.0133(2) 0.0599(14) Uani 1.00 1 d .
C(26) C 0.15330(17) 0.6138(2) 0.04174(18) 0.0446(11) Uani 1.00 1 d .
C(27) C 0.29105(13) 0.7151(2) 0.33587(16) 0.0331(9) Uani 1.00 1 d .
C(28) C 0.32066(19) 0.6699(2) 0.38847(17) 0.0475(11) Uani 1.00 1 d .
C(29) C 0.3518(2) 0.7155(3) 0.44304(19) 0.0608(14) Uani 1.00 1 d .
C(30) C 0.3499(2) 0.8037(3) 0.44375(19) 0.0559(13) Uani 1.00 1 d .
C(31) C 0.3195(2) 0.8485(3) 0.3912(2) 0.0655(14) Uani 1.00 1 d .
C(32) C 0.28981(19) 0.8046(2) 0.33714(18) 0.0497(11) Uani 1.00 1 d .
C(33) C 0.21627(14) 0.5723(2) 0.26995(16) 0.0330(9) Uani 1.00 1 d .
C(34) C 0.16148(16) 0.5855(2) 0.23985(17) 0.0362(9) Uani 1.00 1 d .
C(35) C 0.12905(18) 0.5228(2) 0.2417(2) 0.0454(11) Uani 1.00 1 d .
C(36) C 0.1511(2) 0.4477(3) 0.2739(2) 0.0600(15) Uani 1.00 1 d .
C(37) C 0.2057(2) 0.4341(3) 0.3044(2) 0.0690(17) Uani 1.00 1 d .
C(38) C 0.23837(19) 0.4955(2) 0.3019(2) 0.0526(13) Uani 1.00 1 d .
C(39) C 0.01206(16) 0.3307(2) 0.16416(17) 0.0392(10) Uani 1.00 1 d .
C(40) C 0.0359(2) 0.3665(3) 0.1365(2) 0.0629(16) Uani 1.00 1 d .
C(41) C 0.0495(2) 0.3159(4) 0.1040(2) 0.078(2) Uani 1.00 1 d .
C(42) C 0.0370(2) 0.2291(3) 0.0947(2) 0.0703(18) Uani 1.00 1 d .
C(43) C 0.0135(2) 0.1926(3) 0.1205(2) 0.0761(19) Uani 1.00 1 d .
C(44) C 0.0012(2) 0.2419(2) 0.1549(2) 0.0573(15) Uani 1.00 1 d .
C(45) C 0.00430(13) 0.7765(2) 0.22419(13) 0.0268(7) Uani 1.00 1 d .
C(46) C -0.09363(12) 0.6919(2) 0.13862(12) 0.0269(7) Uani 1.00 1 d .
C(47) C -0.11564(16) 0.7550(2) 0.09372(16) 0.0366(9) Uani 1.00 1 d .
C(48) C -0.16940(17) 0.7763(3) 0.06448(18) 0.0488(11) Uani 1.00 1 d .
C(49) C -0.20115(17) 0.7352(3) 0.07952(18) 0.0520(12) Uani 1.00 1 d .
C(50) C -0.18053(17) 0.6713(3) 0.12194(18) 0.0575(14) Uani 1.00 1 d .
C(51) C -0.12633(16) 0.6500(3) 0.15219(16) 0.0444(11) Uani 1.00 1 d .
C(52) C -0.00149(12) 0.6681(2) 0.13202(13) 0.0284(8) Uani 1.00 1 d .
C(53) C 0.0209(2) 0.7383(3) 0.1215(2) 0.0710(18) Uani 1.00 1 d .
C(54) C 0.0344(2) 0.7311(4) 0.0795(2) 0.084(2) Uani 1.00 1 d .
C(55) C 0.0271(2) 0.6544(4) 0.0504(2) 0.0642(16) Uani 1.00 1 d .
C(56) C 0.0031(3) 0.5874(4) 0.0588(2) 0.091(2) Uani 1.00 1 d .
C(57) C -0.0098(2) 0.5925(3) 0.1009(2) 0.0693(18) Uani 1.00 1 d .
B(1) B 0.13952(14) 0.8708(2) 0.09504(16) 0.0264(8) Uani 1.00 1 d .
B(2) B 0.14069(14) 0.8653(2) 0.18838(16) 0.0244(8) Uani 1.00 1 d .
B(3) B -0.00077(16) 0.3897(2) 0.20359(19) 0.0347(10) Uani 1.00 1 d .
H(1) H 0.1572 0.8647 0.0063 0.069 Uiso 1.00 1 c R
H(2) H 0.1233 0.9454 -0.0811 0.082 Uiso 1.00 1 c R
H(3) H 0.0585 1.0520 -0.1075 0.053 Uiso 1.00 1 c R
H(4) H 0.0281 1.0784 -0.0460 0.048 Uiso 1.00 1 c R
H(5) H 0.0633 1.0007 0.0424 0.042 Uiso 1.00 1 c R
H(6) H 0.0630 0.9905 0.1541 0.035 Uiso 1.00 1 c R
H(7) H 0.0292 1.0562 0.2050 0.044 Uiso 1.00 1 c R
H(8) H 0.0626 1.0169 0.3036 0.050 Uiso 1.00 1 c R
H(9) H 0.1283 0.9099 0.3505 0.045 Uiso 1.00 1 c R
H(10) H 0.1599 0.8403 0.2989 0.036 Uiso 1.00 1 c R
H(11) H 0.2645 0.5164 0.1958 0.043 Uiso 1.00 1 c R
H(12) H 0.3160 0.5454 0.1998 0.043 Uiso 1.00 1 c R
H(13) H 0.3390 0.6386 0.2772 0.040 Uiso 1.00 1 c R
H(14) H 0.3235 0.5527 0.2943 0.041 Uiso 1.00 1 c R
H(15) H 0.3648 0.6668 0.2133 0.049 Uiso 1.00 1 c R
H(16) H 0.4233 0.7430 0.1977 0.060 Uiso 1.00 1 c R
H(17) H 0.3894 0.8265 0.1117 0.072 Uiso 1.00 1 c R
H(18) H 0.2976 0.8373 0.0432 0.075 Uiso 1.00 1 c R
H(19) H 0.2389 0.7633 0.0593 0.054 Uiso 1.00 1 c R
H(20) H 0.2656 0.5196 0.0841 0.060 Uiso 1.00 1 c R
H(21) H 0.2115 0.4491 -0.0069 0.083 Uiso 1.00 1 c R
H(22) H 0.1218 0.4839 -0.0689 0.078 Uiso 1.00 1 c R
H(23) H 0.0839 0.5853 -0.0383 0.068 Uiso 1.00 1 c R
H(24) H 0.1379 0.6556 0.0539 0.055 Uiso 1.00 1 c R
H(25) H 0.3216 0.6081 0.3882 0.055 Uiso 1.00 1 c R
H(26) H 0.3721 0.6837 0.4793 0.071 Uiso 1.00 1 c R
H(27) H 0.3706 0.8337 0.4807 0.064 Uiso 1.00 1 c R
H(28) H 0.3185 0.9103 0.3920 0.070 Uiso 1.00 1 c R
H(29) H 0.2695 0.8367 0.3010 0.054 Uiso 1.00 1 c R
H(30) H 0.1460 0.6373 0.2175 0.047 Uiso 1.00 1 c R
H(31) H 0.0915 0.5319 0.2209 0.059 Uiso 1.00 1 c R
H(32) H 0.1289 0.4056 0.2758 0.082 Uiso 1.00 1 c R
H(33) H 0.2207 0.3814 0.3258 0.089 Uiso 1.00 1 c R
H(34) H 0.2760 0.4867 0.3234 0.067 Uiso 1.00 1 c R
H(35) H 0.0436 0.4270 0.1408 0.085 Uiso 1.00 1 c R
H(36) H 0.0675 0.3422 0.0879 0.109 Uiso 1.00 1 c R
H(37) H 0.0436 0.1954 0.0698 0.093 Uiso 1.00 1 c R
H(38) H 0.0060 0.1320 0.1158 0.104 Uiso 1.00 1 c R
H(39) H -0.0147 0.2138 0.1728 0.077 Uiso 1.00 1 c R
H(40) H 0.0122 0.8139 0.2019 0.034 Uiso 1.00 1 c R
H(41) H 0.0359 0.7671 0.2627 0.034 Uiso 1.00 1 c R
H(42) H -0.0940 0.7841 0.0832 0.041 Uiso 1.00 1 c R
H(43) H -0.1846 0.8184 0.0334 0.051 Uiso 1.00 1 c R
H(44) H -0.2376 0.7519 0.0602 0.058 Uiso 1.00 1 c R
H(45) H -0.2032 0.6419 0.1308 0.070 Uiso 1.00 1 c R
H(46) H -0.1119 0.6064 0.1823 0.054 Uiso 1.00 1 c R
H(47) H -0.0242 0.5431 0.1086 0.100 Uiso 1.00 1 c R
H(48) H -0.0056 0.5362 0.0353 0.134 Uiso 1.00 1 c R
H(49) H 0.0392 0.6485 0.0246 0.086 Uiso 1.00 1 c R
H(50) H 0.0478 0.7807 0.0708 0.117 Uiso 1.00 1 c R
H(51) H 0.0288 0.7903 0.1440 0.100 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)
;
B B 0.001 0.001
;
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P(1) Pt(1) P(2) 86.62(4) no . .
P(1) Pt(1) O(1) 91.94(9) no . .
P(1) Pt(1) O(2) 176.32(8) no . .
P(2) Pt(1) O(1) 178.31(10) no . .
P(2) Pt(1) O(2) 90.06(7) no . .
O(1) Pt(1) O(2) 91.40(11) yes . .
P(3) Pt(2) P(3) 85.55(2) no . 55502
P(3) Pt(2) O(4) 92.62(8) no . .
P(3) Pt(2) O(4) 172.77(10) no . 55502
P(3) Pt(2) O(4) 172.77(10) no 55502 .
P(3) Pt(2) O(4) 92.62(8) no 55502 55502
O(4) Pt(2) O(4) 90.04(11) yes . 55502
Pt(1) P(1) C(13) 108.68(17) no . .
Pt(1) P(1) C(15) 115.09(13) no . .
Pt(1) P(1) C(21) 117.91(16) no . .
C(13) P(1) C(15) 106.33(19) no . .
C(13) P(1) C(21) 105.27(15) no . .
C(15) P(1) C(21) 102.6(2) no . .
Pt(1) P(2) C(14) 108.18(13) no . .
Pt(1) P(2) C(27) 117.89(12) no . .
Pt(1) P(2) C(33) 112.59(10) no . .
C(14) P(2) C(27) 103.58(17) no . .
C(14) P(2) C(33) 106.10(19) no . .
C(27) P(2) C(33) 107.5(2) no . .
Pt(2) P(3) C(45) 108.99(11) no . .
Pt(2) P(3) C(46) 111.16(13) no . .
Pt(2) P(3) C(52) 120.55(11) no . .
C(45) P(3) C(46) 102.72(16) no . .
C(45) P(3) C(52) 106.40(19) no . .
C(46) P(3) C(52) 105.50(15) no . .
Pt(1) O(1) B(1) 124.6(2) yes . .
Pt(1) O(2) B(2) 125.4(2) yes . .
B(1) O(3) B(2) 126.7(2) yes . .
Pt(2) O(4) B(3) 124.4(2) yes . .
B(3) O(5) B(3) 125.4(3) yes . 55502
C(2) C(1) C(6) 117.3(3) no . .
C(2) C(1) B(1) 119.6(3) no . .
C(6) C(1) B(1) 123.1(4) no . .
C(1) C(2) C(3) 120.8(5) no . .
C(2) C(3) C(4) 120.3(6) no . .
C(3) C(4) C(5) 119.7(4) no . .
C(4) C(5) C(6) 119.9(4) no . .
C(1) C(6) C(5) 121.9(4) no . .
C(8) C(7) C(12) 117.7(3) no . .
C(8) C(7) B(2) 121.9(3) no . .
C(12) C(7) B(2) 120.4(2) no . .
C(7) C(8) C(9) 121.0(3) no . .
C(8) C(9) C(10) 120.2(3) no . .
C(9) C(10) C(11) 119.7(4) no . .
C(10) C(11) C(12) 120.1(3) no . .
C(7) C(12) C(11) 121.3(3) no . .
P(1) C(13) C(14) 109.3(2) no . .
P(2) C(14) C(13) 107.7(2) no . .
P(1) C(15) C(16) 121.8(3) no . .
P(1) C(15) C(20) 118.7(3) no . .
C(16) C(15) C(20) 119.4(4) no . .
C(15) C(16) C(17) 120.3(3) no . .
C(16) C(17) C(18) 119.8(4) no . .
C(17) C(18) C(19) 120.1(6) no . .
C(18) C(19) C(20) 120.3(5) no . .
C(15) C(20) C(19) 119.9(3) no . .
P(1) C(21) C(22) 119.8(2) no . .
P(1) C(21) C(26) 121.0(3) no . .
C(22) C(21) C(26) 119.2(3) no . .
C(21) C(22) C(23) 120.0(4) no . .
C(22) C(23) C(24) 120.4(6) no . .
C(23) C(24) C(25) 120.2(4) no . .
C(24) C(25) C(26) 119.7(4) no . .
C(21) C(26) C(25) 120.4(5) no . .
P(2) C(27) C(28) 119.4(3) no . .
P(2) C(27) C(32) 121.1(2) no . .
C(28) C(27) C(32) 119.4(3) no . .
C(27) C(28) C(29) 119.9(4) no . .
C(28) C(29) C(30) 120.0(3) no . .
C(29) C(30) C(31) 119.8(4) no . .
C(30) C(31) C(32) 120.7(4) no . .
C(27) C(32) C(31) 120.1(3) no . .
P(2) C(33) C(34) 118.4(2) no . .
P(2) C(33) C(38) 122.4(3) no . .
C(34) C(33) C(38) 119.2(4) no . .
C(33) C(34) C(35) 120.4(3) no . .
C(34) C(35) C(36) 120.2(4) no . .
C(35) C(36) C(37) 119.9(5) no . .
C(36) C(37) C(38) 120.4(4) no . .
C(33) C(38) C(37) 119.9(4) no . .
C(40) C(39) C(44) 115.3(5) no . .
C(40) C(39) B(3) 120.9(4) no . .
C(44) C(39) B(3) 123.8(5) no . .
C(39) C(40) C(41) 122.1(5) no . .
C(40) C(41) C(42) 120.8(7) no . .
C(41) C(42) C(43) 118.5(7) no . .
C(42) C(43) C(44) 121.4(5) no . .
C(39) C(44) C(43) 121.9(6) no . .
P(3) C(45) C(45) 107.6(2) no . 55502
P(3) C(46) C(47) 120.3(3) no . .
P(3) C(46) C(51) 120.2(2) no . .
C(47) C(46) C(51) 119.2(3) no . .
C(46) C(47) C(48) 119.9(4) no . .
C(47) C(48) C(49) 120.1(4) no . .
C(48) C(49) C(50) 120.5(4) no . .
C(49) C(50) C(51) 119.8(5) no . .
C(46) C(51) C(50) 120.4(4) no . .
P(3) C(52) C(53) 122.2(3) no . .
P(3) C(52) C(57) 119.1(4) no . .
C(53) C(52) C(57) 118.7(5) no . .
C(52) C(53) C(54) 119.7(5) no . .
C(53) C(54) C(55) 120.4(6) no . .
C(54) C(55) C(56) 119.6(7) no . .
C(55) C(56) C(57) 120.8(5) no . .
C(52) C(57) C(56) 120.5(5) no . .
O(1) B(1) O(3) 126.0(3) yes . .
O(1) B(1) C(1) 119.8(4) no . .
O(3) B(1) C(1) 114.2(3) no . .
O(2) B(2) O(3) 125.5(4) yes . .
O(2) B(2) C(7) 118.1(3) no . .
O(3) B(2) C(7) 116.3(2) no . .
O(4) B(3) O(5) 124.8(4) yes . .
O(4) B(3) C(39) 118.7(4) no . .
O(5) B(3) C(39) 116.5(3) no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt(1) P(1) 2.2141(12) yes .
Pt(1) P(2) 2.2133(8) yes .
Pt(1) O(1) 2.043(2) yes .
Pt(1) O(2) 2.033(3) yes .
Pt(2) P(3) 2.2259(7) yes .
Pt(2) P(3) 2.2259(7) no 55502
Pt(2) O(4) 2.042(2) yes .
Pt(2) O(4) 2.042(2) no 55502
P(1) C(13) 1.836(3) no .
P(1) C(15) 1.811(4) no .
P(1) C(21) 1.812(3) no .
P(2) C(14) 1.830(4) no .
P(2) C(27) 1.817(3) no .
P(2) C(33) 1.813(4) no .
P(3) C(46) 1.821(3) no .
P(3) C(52) 1.810(4) no .
O(1) B(1) 1.322(4) yes .
O(2) B(2) 1.324(4) yes .
O(3) B(1) 1.398(6) yes .
O(3) B(2) 1.393(4) yes .
O(4) B(3) 1.320(4) yes .
O(5) B(3) 1.391(5) yes .
O(5) B(3) 1.391(5) no 55502
C(1) C(2) 1.411(8) no .
C(1) C(6) 1.376(5) no .
C(1) B(1) 1.596(5) no .
C(2) C(3) 1.388(6) no .
C(3) C(4) 1.378(7) no .
C(4) C(5) 1.377(8) no .
C(5) C(6) 1.391(5) no .
C(7) C(8) 1.398(4) no .
C(7) C(12) 1.396(4) no .
C(7) B(2) 1.590(6) no .
C(8) C(9) 1.393(6) no .
C(9) C(10) 1.384(5) no .
C(10) C(11) 1.381(5) no .
C(11) C(12) 1.391(6) no .
C(13) C(14) 1.535(5) no .
C(15) C(16) 1.379(4) no .
C(15) C(20) 1.385(5) no .
C(16) C(17) 1.385(8) no .
C(17) C(18) 1.372(7) no .
C(18) C(19) 1.374(6) no .
C(19) C(20) 1.380(9) no .
C(21) C(22) 1.394(7) no .
C(21) C(26) 1.365(5) no .
C(22) C(23) 1.382(6) no .
C(23) C(24) 1.362(8) no .
C(24) C(25) 1.374(9) no .
C(25) C(26) 1.397(6) no .
C(27) C(28) 1.371(5) no .
C(27) C(32) 1.375(5) no .
C(28) C(29) 1.413(5) no .
C(29) C(30) 1.356(7) no .
C(30) C(31) 1.369(6) no .
C(31) C(32) 1.388(6) no .
C(33) C(34) 1.386(5) no .
C(33) C(38) 1.392(5) no .
C(34) C(35) 1.390(7) no .
C(35) C(36) 1.371(6) no .
C(36) C(37) 1.382(8) no .
C(37) C(38) 1.387(9) no .
C(39) C(40) 1.399(9) no .
C(39) C(44) 1.392(5) no .
C(39) B(3) 1.596(7) no .
C(40) C(41) 1.390(11) no .
C(41) C(42) 1.369(9) no .
C(42) C(43) 1.354(12) no .
C(43) C(44) 1.395(11) no .
C(45) C(45) 1.547(6) no 55502
C(46) C(47) 1.396(4) no .
C(46) C(51) 1.381(7) no .
C(47) C(48) 1.386(6) no .
C(48) C(49) 1.377(8) no .
C(49) C(50) 1.366(7) no .
C(50) C(51) 1.395(6) no .
C(52) C(53) 1.380(8) no .
C(52) C(57) 1.370(6) no .
C(53) C(54) 1.400(12) no .
C(54) C(55) 1.363(9) no .
C(55) C(56) 1.344(11) no .
C(56) C(57) 1.389(13) no .
