#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/75/4077550.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_4077550
loop_
_publ_author_name
'Reinartz, Stefan'
'White, Peter S.'
'Brookhart, Maurice'
'Templeton, Joseph L.'
_publ_section_title
;
 Acid-Assisted Reductive Elimination as a Route to Platinum(II) Products
 from Platinum(IV) Tris(pyrazolyl)borate Reagents
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              3854
_journal_paper_doi               10.1021/om000440z
_journal_volume                  19
_journal_year                    2000
_chemical_formula_moiety         'Pt C50 H41 B2 F24 N7 '
_chemical_formula_sum            'C50 H41 B2 F24 N7 Pt'
_chemical_formula_weight         1412.58
_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'
_cell_angle_alpha                99.488(1)
_cell_angle_beta                 91.418(1)
_cell_angle_gamma                117.656(1)
_cell_formula_units_Z            2
_cell_length_a                   12.6683(6)
_cell_length_b                   13.2799(6)
_cell_length_c                   18.9746(9)
_cell_measurement_reflns_used    7944
_cell_measurement_temperature    193
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.50
_cell_volume                     2770.0(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      193
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14091
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    2.65
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_F_000             1386.76
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.20
_refine_ls_extinction_coef       0.893(126)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         7856
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.055
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(σ²(F)+0.0002F²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.038
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          7856
_reflns_number_total             9227
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            om000440z.cif
_cod_data_source_block           c99045
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2769.99(22)
_cod_original_formula_sum        'Pt C50 H41 B2 F24 N7 '
_cod_database_code               4077550
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Pt1 0.140602(18) 0.664534(16) 0.233226(11) 0.02543(10) Uij Pt
C1 0.3174(5) 0.7631(5) 0.2719(3) 0.040(3) Uij C
N2 0.1082(4) 0.7069(3) 0.33160(21) 0.030(3) Uij N
C3 0.0952(5) 0.7345(4) 0.3883(3) 0.037(3) Uij C
C4 0.0778(6) 0.7692(6) 0.4629(3) 0.060(5) Uij C
B10 0.0306(5) 0.4102(5) 0.1251(3) 0.029(4) Uij B
N11 0.1617(4) 0.4378(4) 0.23964(23) 0.036(3) Uij N
N12 0.0968(4) 0.3707(3) 0.17695(22) 0.033(3) Uij N
C13 0.1065(6) 0.2729(5) 0.1687(3) 0.050(4) Uij C
C14 0.1802(6) 0.2828(5) 0.2288(3) 0.054(5) Uij C
C15 0.2137(5) 0.3870(5) 0.2728(3) 0.044(4) Uij C
C16 0.0481(8) 0.1758(6) 0.1047(4) 0.084(7) Uij C
C17 0.2926(6) 0.4462(6) 0.3419(4) 0.066(5) Uij C
N21 -0.0409(3) 0.5437(3) 0.19512(21) 0.028(3) Uij N
N22 -0.0643(4) 0.4348(3) 0.16097(21) 0.029(3) Uij N
C23 -0.1839(4) 0.3613(4) 0.1563(3) 0.031(3) Uij C
C24 -0.2377(4) 0.4248(4) 0.1864(3) 0.034(3) Uij C
C25 -0.1461(4) 0.5378(4) 0.2101(3) 0.030(3) Uij C
C26 -0.2385(5) 0.2344(5) 0.1257(3) 0.045(4) Uij C
C27 -0.1545(5) 0.6414(5) 0.2457(3) 0.042(4) Uij C
N31 0.1780(3) 0.6275(3) 0.13429(21) 0.027(3) Uij N
N32 0.1211(4) 0.5145(3) 0.09526(20) 0.028(3) Uij N
C33 0.1587(5) 0.5138(4) 0.0292(3) 0.033(3) Uij C
C34 0.2383(5) 0.6258(5) 0.0255(3) 0.036(4) Uij C
C35 0.2484(4) 0.6949(4) 0.0911(3) 0.030(3) Uij C
C36 0.1169(6) 0.4071(5) -0.0270(3) 0.049(4) Uij C
C37 0.3211(5) 0.8244(5) 0.1136(3) 0.041(4) Uij C
B40 0.7242(5) 0.9318(4) 0.2878(3) 0.024(3) Uij B
C41 0.6669(4) 0.8634(4) 0.35313(24) 0.023(3) Uij C
C42 0.6944(4) 0.7773(4) 0.3684(3) 0.027(3) Uij C
C43 0.6378(4) 0.7068(4) 0.4168(3) 0.029(3) Uij C
C44 0.5509(4) 0.7204(4) 0.4539(3) 0.031(3) Uij C
C45 0.5239(4) 0.8059(4) 0.44125(25) 0.027(3) Uij C
C46 0.5794(4) 0.8747(4) 0.39265(25) 0.026(3) Uij C
C47 0.6678(5) 0.6133(5) 0.4264(3) 0.041(4) Uij C
C48 0.4283(5) 0.8187(5) 0.4818(3) 0.043(4) Uij C
C51 0.8638(4) 0.9544(4) 0.28484(24) 0.022(3) Uij C
C52 0.9074(4) 0.9305(4) 0.22087(25) 0.024(3) Uij C
C53 1.0263(4) 0.9506(4) 0.2189(3) 0.025(3) Uij C
C54 1.1053(4) 0.9969(4) 0.2809(3) 0.030(3) Uij C
C55 1.0646(4) 1.0220(4) 0.3454(3) 0.029(3) Uij C
C56 0.9456(4) 0.9998(4) 0.3470(3) 0.029(3) Uij C
C57 1.0666(4) 0.9188(4) 0.1495(3) 0.033(3) Uij C
C58 1.1512(5) 1.0782(5) 0.4121(3) 0.045(4) Uij C
C61 0.7200(4) 1.0554(4) 0.29917(23) 0.022(3) Uij C
C62 0.6144(4) 1.0583(4) 0.27957(24) 0.025(3) Uij C
C63 0.6056(4) 1.1601(4) 0.2914(3) 0.027(3) Uij C
C64 0.7027(4) 1.2643(4) 0.3234(3) 0.029(3) Uij C
C65 0.8091(4) 1.2652(4) 0.34252(25) 0.028(3) Uij C
C66 0.8178(4) 1.1626(4) 0.33061(24) 0.025(3) Uij C
C67 0.4908(5) 1.1566(5) 0.2687(3) 0.042(4) Uij C
C68 0.9145(5) 1.3780(4) 0.3758(3) 0.040(3) Uij C
C71 0.6482(4) 0.8493(4) 0.20998(25) 0.023(3) Uij C
C72 0.5826(4) 0.7284(4) 0.1992(3) 0.028(3) Uij C
C73 0.5329(4) 0.6581(4) 0.1317(3) 0.032(3) Uij C
C74 0.5478(4) 0.7072(5) 0.0713(3) 0.035(3) Uij C
C75 0.6099(4) 0.8261(4) 0.0796(3) 0.031(3) Uij C
C76 0.6581(4) 0.8952(4) 0.1478(3) 0.026(3) Uij C
C77 0.4672(6) 0.5305(5) 0.1243(3) 0.050(4) Uij C
C78 0.6281(6) 0.8810(5) 0.0152(3) 0.050(4) Uij C
F41 0.6232(4) 0.5253(3) 0.37002(21) 0.074(3) Uij F
F42 0.7859(3) 0.6495(3) 0.43318(22) 0.066(3) Uij F
F43 0.6275(3) 0.5681(3) 0.48403(21) 0.071(3) Uij F
F44 0.4658(4) 0.8617(4) 0.55180(17) 0.070(3) Uij F
F45 0.3295(3) 0.7168(3) 0.47705(24) 0.081(3) Uij F
F46 0.3925(3) 0.8883(3) 0.45881(17) 0.0512(24) Uij F
F51 0.9961(3) 0.9054(3) 0.09133(15) 0.0447(22) Uij F
F52 1.1778(3) 0.9979(3) 0.14164(17) 0.0481(21) Uij F
F53 1.0686(3) 0.8177(3) 0.14406(16) 0.0472(23) Uij F
F54 1.2294(4) 1.1836(4) 0.41196(24) 0.121(4) Uij F
F55 1.2224(4) 1.0320(5) 0.41850(25) 0.112(4) Uij F
F56 1.1043(4) 1.0757(5) 0.47082(20) 0.127(5) Uij F
F61 0.4709(4) 1.1433(6) 0.19900(24) 0.124(5) Uij F
F62 0.3967(3) 1.0685(4) 0.2833(3) 0.097(4) Uij F
F63 0.4830(4) 1.2481(4) 0.2947(3) 0.137(5) Uij F
F64 0.8937(4) 1.4308(4) 0.43488(24) 0.104(3) Uij F
F65 0.9554(4) 1.4509(3) 0.33300(23) 0.110(3) Uij F
F66 1.0110(3) 1.3696(3) 0.39862(22) 0.071(3) Uij F
F71 0.4066(8) 0.4966(4) 0.1729(4) 0.275(9) Uij F
F72 0.3949(5) 0.4742(3) 0.0663(3) 0.122(4) Uij F
F73 0.5347(5) 0.4844(4) 0.1206(4) 0.176(6) Uij F
F74 0.6021(8) 0.9669(6) 0.0247(3) 0.089(7) Uij F
F75 0.5586(8) 0.8119(6) -0.0423(3) 0.114(8) Uij F
F76 0.7364(7) 0.9254(10) 0.0024(4) 0.147(10) Uij F
F74a 0.5348(11) 0.8869(17) -0.0085(7) 0.159(17) Uij F
F75a 0.6491(11) 0.8239(8) -0.0417(4) 0.086(10) Uij F
F76a 0.7165(11) 0.9841(8) 0.0225(5) 0.098(9) Uij F
H1a 0.366 0.762 0.234 0.0469 Uiso H
H1b 0.334 0.841 0.290 0.0469 Uiso H
H1c 0.336 0.732 0.310 0.0469 Uiso H
H4a 0.024 0.802 0.464 0.0692 Uiso H
H4b 0.045 0.703 0.485 0.0692 Uiso H
H4c 0.154 0.826 0.489 0.0692 Uiso H
H10 -0.010 0.347 0.085 0.0388 Uiso H
H11 0.168(4) 0.504(4) 0.2547(24) 0.040(14) Uiso H
H14 0.202 0.226 0.238 0.0696 Uiso H
H16a 0.067 0.115 0.109 0.1002 Uiso H
H16b -0.037 0.146 0.102 0.1002 Uiso H
H16c 0.076 0.204 0.062 0.1002 Uiso H
H17a 0.321 0.397 0.357 0.0777 Uiso H
H17b 0.360 0.517 0.336 0.0777 Uiso H
H17c 0.248 0.463 0.378 0.0777 Uiso H
H24 -0.322 0.397 0.190 0.0449 Uiso H
H26a -0.324 0.199 0.127 0.0517 Uiso H
H26b -0.222 0.223 0.077 0.0517 Uiso H
H26c -0.204 0.200 0.153 0.0517 Uiso H
H27a -0.237 0.620 0.252 0.0549 Uiso H
H27b -0.107 0.673 0.292 0.0549 Uiso H
H27c -0.126 0.699 0.216 0.0549 Uiso H
H34 0.281 0.652 -0.015 0.0503 Uiso H
H36a 0.155 0.426 -0.070 0.0600 Uiso H
H36b 0.136 0.353 -0.009 0.0600 Uiso H
H36c 0.032 0.373 -0.038 0.0600 Uiso H
H37a 0.364 0.856 0.075 0.0520 Uiso H
H37b 0.269 0.857 0.126 0.0520 Uiso H
H37c 0.377 0.843 0.155 0.0520 Uiso H
H42 0.755 0.767 0.344 0.0364 Uiso H
H44 0.511 0.672 0.487 0.0393 Uiso H
H46 0.557 0.932 0.385 0.0362 Uiso H
H52 0.854 0.898 0.177 0.0348 Uiso H
H54 1.187 1.011 0.280 0.0418 Uiso H
H56 0.919 1.016 0.392 0.0394 Uiso H
H62 0.545 0.987 0.257 0.0332 Uiso H
H64 0.697 1.335 0.332 0.0406 Uiso H
H66 0.893 1.166 0.344 0.0350 Uiso H
H72 0.571 0.692 0.240 0.0380 Uiso H
H74 0.513 0.659 0.025 0.0443 Uiso H
H76 0.699 0.978 0.152 0.0365 Uiso H
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt -1.703 8.391 'International Tables Vol. IV Table 2.2B'
C 0.003 0.002 'International Tables Vol. IV Table 2.2B'
H 0.000 0.000 'International Tables Vol. IV Table 2.2B'
B 0.001 0.001 'International Tables Vol. IV Table 2.2B'
F 0.017 0.010 'International Tables Vol. IV Table 2.2B'
N 0.006 0.003 'International Tables Vol. IV Table 2.2B'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C(1) Pt(1) N(2) 85.94(19)
C(1) Pt(1) N(21) 172.78(19)
C(1) Pt(1) N(31) 92.48(19)
N(2) Pt(1) N(21) 94.87(15)
N(2) Pt(1) N(31) 177.95(15)
N(21) Pt(1) N(31) 86.86(15)
Pt(1) N(2) C(3) 176.9(4)
N(2) C(3) C(4) 179.2(6)
N(12) B(10) N(22) 112.2(4)
N(12) B(10) N(32) 111.1(4)
N(22) B(10) N(32) 111.7(4)
N(12) N(11) C(15) 112.1(4)
B(10) N(12) N(11) 123.1(4)
B(10) N(12) C(13) 130.0(4)
N(11) N(12) C(13) 106.8(4)
N(12) C(13) C(14) 107.5(5)
N(12) C(13) C(16) 123.5(5)
C(14) C(13) C(16) 129.0(5)
C(13) C(14) C(15) 108.2(5)
N(11) C(15) C(14) 105.5(5)
N(11) C(15) C(17) 121.7(5)
C(14) C(15) C(17) 132.7(5)
Pt(1) N(21) N(22) 117.0(3)
Pt(1) N(21) C(25) 133.9(3)
N(22) N(21) C(25) 107.1(4)
B(10) N(22) N(21) 122.7(4)
B(10) N(22) C(23) 127.4(4)
N(21) N(22) C(23) 109.2(4)
N(22) C(23) C(24) 107.7(4)
N(22) C(23) C(26) 122.9(5)
C(24) C(23) C(26) 129.4(5)
C(23) C(24) C(25) 106.3(4)
N(21) C(25) C(24) 109.6(4)
N(21) C(25) C(27) 121.6(4)
C(24) C(25) C(27) 128.8(4)
Pt(1) N(31) N(32) 120.6(3)
Pt(1) N(31) C(35) 132.1(3)
N(32) N(31) C(35) 107.2(4)
B(10) N(32) N(31) 123.7(4)
B(10) N(32) C(33) 127.6(4)
N(31) N(32) C(33) 108.7(4)
N(32) C(33) C(34) 107.9(4)
N(32) C(33) C(36) 123.6(5)
C(34) C(33) C(36) 128.5(5)
C(33) C(34) C(35) 107.2(4)
N(31) C(35) C(34) 108.9(4)
N(31) C(35) C(37) 122.8(4)
C(34) C(35) C(37) 128.2(4)
C(41) B(40) C(51) 109.4(4)
C(41) B(40) C(61) 110.6(4)
C(41) B(40) C(71) 109.5(4)
C(51) B(40) C(61) 110.6(4)
C(51) B(40) C(71) 106.8(3)
C(61) B(40) C(71) 109.7(4)
B(40) C(41) C(42) 120.6(4)
B(40) C(41) C(46) 124.6(4)
C(42) C(41) C(46) 114.4(4)
C(41) C(42) C(43) 123.2(4)
C(42) C(43) C(44) 120.1(4)
C(42) C(43) C(47) 119.5(4)
C(44) C(43) C(47) 120.3(4)
C(43) C(44) C(45) 117.9(4)
C(44) C(45) C(46) 121.6(4)
C(44) C(45) C(48) 117.1(4)
C(46) C(45) C(48) 121.3(4)
C(41) C(46) C(45) 122.6(4)
C(43) C(47) F(41) 112.1(4)
C(43) C(47) F(42) 112.9(4)
C(43) C(47) F(43) 113.6(4)
F(41) C(47) F(42) 104.8(4)
F(41) C(47) F(43) 106.6(4)
F(42) C(47) F(43) 106.1(4)
C(45) C(48) F(44) 111.7(5)
C(45) C(48) F(45) 111.8(4)
C(45) C(48) F(46) 114.0(4)
F(44) C(48) F(45) 106.6(4)
F(44) C(48) F(46) 106.2(4)
F(45) C(48) F(46) 106.0(5)
B(40) C(51) C(52) 122.6(4)
B(40) C(51) C(56) 121.4(4)
C(52) C(51) C(56) 116.0(4)
C(51) C(52) C(53) 122.1(4)
C(52) C(53) C(54) 120.5(4)
C(52) C(53) C(57) 119.9(4)
C(54) C(53) C(57) 119.6(4)
C(53) C(54) C(55) 118.6(4)
C(54) C(55) C(56) 120.4(4)
C(54) C(55) C(58) 118.9(4)
C(56) C(55) C(58) 120.6(4)
C(51) C(56) C(55) 122.3(4)
C(53) C(57) F(51) 113.9(4)
C(53) C(57) F(52) 112.5(4)
C(53) C(57) F(53) 111.8(4)
F(51) C(57) F(52) 106.4(4)
F(51) C(57) F(53) 105.3(4)
F(52) C(57) F(53) 106.3(4)
C(55) C(58) F(54) 113.1(5)
C(55) C(58) F(55) 113.0(5)
C(55) C(58) F(56) 115.4(4)
F(54) C(58) F(55) 100.2(5)
F(54) C(58) F(56) 108.5(6)
F(55) C(58) F(56) 105.3(5)
B(40) C(61) C(62) 120.8(4)
B(40) C(61) C(66) 123.5(4)
C(62) C(61) C(66) 115.7(4)
C(61) C(62) C(63) 122.6(4)
C(62) C(63) C(64) 120.7(4)
C(62) C(63) C(67) 119.6(4)
C(64) C(63) C(67) 119.8(4)
C(63) C(64) C(65) 118.4(4)
C(64) C(65) C(66) 120.8(4)
C(64) C(65) C(68) 118.4(4)
C(66) C(65) C(68) 120.8(4)
C(61) C(66) C(65) 121.9(4)
C(63) C(67) F(61) 112.6(4)
C(63) C(67) F(62) 113.5(4)
C(63) C(67) F(63) 114.8(5)
F(61) C(67) F(62) 102.9(5)
F(61) C(67) F(63) 104.8(5)
F(62) C(67) F(63) 107.1(5)
C(65) C(68) F(64) 113.1(4)
C(65) C(68) F(65) 114.1(4)
C(65) C(68) F(66) 114.4(4)
F(64) C(68) F(65) 107.8(5)
F(64) C(68) F(66) 102.5(5)
F(65) C(68) F(66) 103.8(5)
B(40) C(71) C(72) 123.1(4)
B(40) C(71) C(76) 121.4(4)
C(72) C(71) C(76) 115.1(4)
C(71) C(72) C(73) 123.0(4)
C(72) C(73) C(74) 120.0(4)
C(72) C(73) C(77) 119.9(5)
C(74) C(73) C(77) 120.1(5)
C(73) C(74) C(75) 119.0(4)
C(74) C(75) C(76) 120.1(5)
C(74) C(75) C(78) 120.0(5)
C(76) C(75) C(78) 119.9(4)
C(71) C(76) C(75) 122.8(4)
C(73) C(77) F(71) 114.7(5)
C(73) C(77) F(72) 115.7(5)
C(73) C(77) F(73) 113.3(5)
F(71) C(77) F(72) 104.8(7)
F(71) C(77) F(73) 105.8(8)
F(72) C(77) F(73) 101.1(5)
C(75) C(78) F(74) 111.6(5)
C(75) C(78) F(75) 113.8(6)
C(75) C(78) F(76) 111.9(6)
C(75) C(78) F(74a) 113.2(7)
C(75) C(78) F(75a) 114.3(6)
C(75) C(78) F(76a) 116.4(6)
F(74) C(78) F(75) 103.7(7)
F(74) C(78) F(76) 105.3(8)
F(74) C(78) F(74a) 48.9(10)
F(74) C(78) F(75a) 133.2(7)
F(74) C(78) F(76a) 63.1(8)
F(75) C(78) F(76) 109.8(8)
F(75) C(78) F(74a) 57.9(10)
F(75) C(78) F(75a) 48.7(7)
F(75) C(78) F(76a) 129.3(7)
F(76) C(78) F(74a) 134.0(8)
F(76) C(78) F(75a) 65.1(8)
F(76) C(78) F(76a) 43.8(9)
F(74a) C(78) F(75a) 102.9(10)
F(74a) C(78) F(76a) 105.8(11)
F(75a) C(78) F(76a) 102.7(8)
C(47) F(41) F(42) 37.7(3)
C(47) F(41) F(43) 36.7(3)
F(42) F(41) F(43) 60.22(18)
C(47) F(42) F(41) 37.5(3)
C(47) F(42) F(43) 36.9(3)
F(41) F(42) F(43) 60.40(19)
C(47) F(43) F(41) 36.7(3)
C(47) F(43) F(42) 37.0(3)
F(41) F(43) F(42) 59.38(18)
C(48) F(44) F(45) 36.7(3)
C(48) F(44) F(46) 36.8(3)
F(45) F(44) F(46) 59.79(17)
C(48) F(45) F(44) 36.6(3)
C(48) F(45) F(46) 36.8(3)
F(44) F(45) F(46) 59.79(16)
C(48) F(46) F(44) 37.0(3)
C(48) F(46) F(45) 37.1(3)
F(44) F(46) F(45) 60.42(19)
C(57) F(51) F(52) 36.85(23)
C(57) F(51) F(53) 37.44(24)
F(52) F(51) F(53) 60.31(14)
C(57) F(52) F(51) 36.7(3)
C(57) F(52) F(53) 36.87(23)
F(51) F(52) F(53) 59.50(14)
C(57) F(53) F(51) 37.3(3)
C(57) F(53) F(52) 36.82(23)
F(51) F(53) F(52) 60.19(14)
C(58) F(54) F(55) 40.5(3)
C(58) F(54) F(56) 35.5(3)
F(55) F(54) F(56) 60.7(3)
C(58) F(55) F(54) 39.3(3)
C(58) F(55) F(56) 36.6(3)
F(54) F(55) F(56) 61.6(3)
C(58) F(56) F(54) 35.9(3)
C(58) F(56) F(55) 38.1(3)
F(54) F(56) F(55) 57.7(3)
C(67) F(61) F(62) 38.5(3)
C(67) F(61) F(63) 37.2(3)
F(62) F(61) F(63) 61.1(3)
C(67) F(62) F(61) 38.7(3)
C(67) F(62) F(63) 36.1(3)
F(61) F(62) F(63) 59.8(3)
C(67) F(63) F(61) 38.0(3)
C(67) F(63) F(62) 36.7(3)
F(61) F(63) F(62) 59.15(24)
C(68) F(64) F(65) 35.7(3)
C(68) F(64) F(66) 39.2(3)
F(65) F(64) F(66) 59.40(21)
C(68) F(65) F(64) 36.5(3)
C(68) F(65) F(66) 39.0(3)
F(64) F(65) F(66) 59.49(21)
C(68) F(66) F(64) 38.3(3)
C(68) F(66) F(65) 37.3(3)
F(64) F(66) F(65) 61.10(24)
C(77) F(71) F(72) 38.7(4)
C(77) F(71) F(73) 37.7(4)
F(72) F(71) F(73) 59.4(3)
C(77) F(72) F(71) 36.5(4)
C(77) F(72) F(73) 39.0(4)
F(71) F(72) F(73) 60.1(4)
C(77) F(73) F(71) 36.5(4)
C(77) F(73) F(72) 39.9(3)
F(71) F(73) F(72) 60.5(4)
C(78) F(74) F(75) 37.9(4)
C(78) F(74) F(76) 36.5(5)
C(78) F(74) F(74a) 64.6(8)
C(78) F(74) F(76a) 57.5(6)
F(75) F(74) F(76) 61.5(5)
F(75) F(74) F(74a) 30.9(8)
F(75) F(74) F(76a) 83.7(6)
F(76) F(74) F(74a) 92.3(9)
F(76) F(74) F(76a) 22.7(5)
F(74a) F(74) F(76a) 114.5(10)
C(78) F(75) F(74) 38.5(4)
C(78) F(75) F(76) 34.6(4)
C(78) F(75) F(74a) 60.9(7)
C(78) F(75) F(75a) 66.8(7)
F(74) F(75) F(76) 59.2(4)
F(74) F(75) F(74a) 26.2(7)
F(74) F(75) F(75a) 96.1(7)
F(76) F(75) F(74a) 85.5(8)
F(76) F(75) F(75a) 36.9(6)
F(74a) F(75) F(75a) 122.3(10)
C(78) F(76) F(74) 38.1(4)
C(78) F(76) F(75) 35.6(4)
C(78) F(76) F(75a) 59.4(6)
C(78) F(76) F(76a) 69.2(8)
F(74) F(76) F(75) 59.3(4)
F(74) F(76) F(75a) 87.0(6)
F(74) F(76) F(76a) 33.4(7)
F(75) F(76) F(75a) 27.7(6)
F(75) F(76) F(76a) 92.1(9)
F(75a) F(76) F(76a) 119.4(11)
C(78) F(74a) F(74) 66.5(8)
C(78) F(74a) F(75) 61.2(8)
C(78) F(74a) F(75a) 39.0(6)
C(78) F(74a) F(76a) 37.0(6)
F(74) F(74a) F(75) 122.9(11)
F(74) F(74a) F(75a) 96.4(9)
F(74) F(74a) F(76a) 37.0(7)
F(75) F(74a) F(75a) 26.5(6)
F(75) F(74a) F(76a) 86.0(8)
F(75a) F(74a) F(76a) 59.5(5)
C(78) F(75a) F(75) 64.4(7)
C(78) F(75a) F(76) 55.5(5)
C(78) F(75a) F(74a) 38.1(6)
C(78) F(75a) F(76a) 38.0(5)
F(75) F(75a) F(76) 115.4(9)
F(75) F(75a) F(74a) 31.2(7)
F(75) F(75a) F(76a) 91.8(8)
F(76) F(75a) F(74a) 84.2(8)
F(76) F(75a) F(76a) 24.0(6)
F(74a) F(75a) F(76a) 60.5(7)
C(78) F(76a) F(74) 59.4(6)
C(78) F(76a) F(76) 67.0(8)
C(78) F(76a) F(74a) 37.2(6)
C(78) F(76a) F(75a) 39.3(5)
F(74) F(76a) F(76) 123.9(10)
F(74) F(76a) F(74a) 28.5(6)
F(74) F(76a) F(75a) 88.4(6)
F(76) F(76a) F(74a) 96.0(10)
F(76) F(76a) F(75a) 36.6(7)
F(74a) F(76a) F(75a) 59.9(7)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt(1) C(1) 2.037(5)
Pt(1) N(2) 1.969(4)
Pt(1) N(21) 2.120(4)
Pt(1) N(31) 1.987(4)
N(2) C(3) 1.120(6)
C(3) C(4) 1.470(8)
B(10) N(12) 1.576(7)
B(10) N(22) 1.532(7)
B(10) N(32) 1.540(7)
N(11) N(12) 1.344(6)
N(11) C(15) 1.348(7)
N(12) C(13) 1.344(7)
C(13) C(14) 1.405(9)
C(13) C(16) 1.496(9)
C(14) C(15) 1.360(8)
C(15) C(17) 1.484(9)
N(21) N(22) 1.373(5)
N(21) C(25) 1.338(6)
N(22) C(23) 1.359(6)
C(23) C(24) 1.376(7)
C(23) C(26) 1.494(7)
C(24) C(25) 1.391(7)
C(25) C(27) 1.482(7)
N(31) N(32) 1.386(5)
N(31) C(35) 1.343(6)
N(32) C(33) 1.352(6)
C(33) C(34) 1.371(7)
C(33) C(36) 1.485(7)
C(34) C(35) 1.384(7)
C(35) C(37) 1.503(7)
B(40) C(41) 1.641(7)
B(40) C(51) 1.655(7)
B(40) C(61) 1.646(7)
B(40) C(71) 1.651(7)
C(41) C(42) 1.410(7)
C(41) C(46) 1.405(6)
C(42) C(43) 1.388(7)
C(43) C(44) 1.387(7)
C(43) C(47) 1.492(7)
C(44) C(45) 1.382(7)
C(45) C(46) 1.376(6)
C(45) C(48) 1.511(7)
C(47) F(41) 1.332(7)
C(47) F(42) 1.337(6)
C(47) F(43) 1.332(6)
C(48) F(44) 1.334(6)
C(48) F(45) 1.337(6)
C(48) F(46) 1.328(7)
C(51) C(52) 1.396(6)
C(51) C(56) 1.397(7)
C(52) C(53) 1.405(6)
C(53) C(54) 1.378(7)
C(53) C(57) 1.491(7)
C(54) C(55) 1.391(7)
C(55) C(56) 1.397(7)
C(55) C(58) 1.490(7)
C(57) F(51) 1.336(6)
C(57) F(52) 1.341(5)
C(57) F(53) 1.342(6)
C(58) F(54) 1.286(7)
C(58) F(55) 1.319(7)
C(58) F(56) 1.274(7)
C(61) C(62) 1.399(6)
C(61) C(66) 1.401(6)
C(62) C(63) 1.390(6)
C(63) C(64) 1.380(7)
C(63) C(67) 1.484(7)
C(64) C(65) 1.382(7)
C(65) C(66) 1.400(7)
C(65) C(68) 1.488(7)
C(67) F(61) 1.307(7)
C(67) F(62) 1.302(6)
C(67) F(63) 1.284(6)
C(68) F(64) 1.321(7)
C(68) F(65) 1.296(6)
C(68) F(66) 1.346(7)
C(71) C(72) 1.398(6)
C(71) C(76) 1.398(7)
C(72) C(73) 1.387(7)
C(73) C(74) 1.385(7)
C(73) C(77) 1.481(7)
C(74) C(75) 1.377(7)
C(75) C(76) 1.392(7)
C(75) C(78) 1.492(8)
C(77) F(71) 1.223(7)
C(77) F(72) 1.285(7)
C(77) F(73) 1.259(8)
C(78) F(74) 1.313(9)
C(78) F(75) 1.296(9)
C(78) F(76) 1.266(9)
C(78) F(74a) 1.294(12)
C(78) F(75a) 1.321(10)
C(78) F(76a) 1.287(10)
F(41) F(42) 2.115(5)
F(41) F(43) 2.137(6)
F(42) F(43) 2.133(5)
F(44) F(45) 2.143(6)
F(44) F(46) 2.129(5)
F(45) F(46) 2.129(5)
F(51) F(52) 2.144(4)
F(51) F(53) 2.129(4)
F(52) F(53) 2.147(4)
F(54) F(55) 1.998(7)
F(54) F(56) 2.078(7)
F(55) F(56) 2.062(7)
F(61) F(62) 2.040(6)
F(61) F(63) 2.053(8)
F(62) F(63) 2.080(6)
F(64) F(65) 2.114(7)
F(64) F(66) 2.080(6)
F(65) F(66) 2.079(6)
F(71) F(72) 1.987(9)
F(71) F(73) 1.980(11)
F(72) F(73) 1.964(7)
F(74) F(75) 2.052(10)
F(74) F(76) 2.051(12)
F(74) F(74a) 1.080(20)
F(74) F(76a) 1.361(16)
F(75) F(76) 2.097(12)
F(75) F(74a) 1.254(20)
F(75) F(75a) 1.080(16)
F(76) F(75a) 1.393(15)
F(76) F(76a) 0.952(17)
F(74a) F(75a) 2.046(18)
F(74a) F(76a) 2.058(18)
F(75a) F(76a) 2.037(13)
