#------------------------------------------------------------------------------
#$Date: 2021-07-05 19:45:47 +0300 (Mon, 05 Jul 2021) $
#$Revision: 267056 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/97/1559730.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_1559730
loop_
_publ_author_name
'Ríos, Pablo'
'Martín-de la Calle, Rocío'
'Vidossich, Pietro'
'Fernández-de-Córdova, Francisco José'
'Lledós, Agustí'
'Conejero, Salvador'
_publ_section_title
;
 Reversible carbon-boron bond formation at platinum centers through σ-BH
 complexes.
;
_journal_issue                   5
_journal_name_full               'Chemical science'
_journal_page_first              1647
_journal_page_last               1655
_journal_paper_doi               10.1039/d0sc05522k
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety         'C32 H12 B F24, C31 H57 B N5 O2 Pt'
_chemical_formula_sum            'C63 H69 B2 F24 N5 O2 Pt'
_chemical_formula_weight         1600.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-09-25 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.229(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0010(7)
_cell_length_b                   26.3167(13)
_cell_length_c                   21.0636(10)
_cell_measurement_reflns_used    9897
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      22.6147
_cell_measurement_theta_min      2.4037
_cell_volume                     7068.8(6)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_av_unetI/netI     0.0644
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            83935
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         23.907
_diffrn_reflns_theta_min         1.671
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.142
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.085
_refine_diff_density_max         3.036
_refine_diff_density_min         -1.624
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         21793
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0377P)²+16.6316P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1148
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16194
_reflns_number_total             21793
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc05522k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;Adding full bibliography for 1559727--1559730.cif.

 Adding full bibliography for 1559727--1559730.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1559730
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.821
_shelx_estimated_absorpt_t_max   0.909
_exptl_absorpt_special_details
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.01713(2) 0.41361(2) 0.33884(2) 0.01683(4) Uani 1 1 d . . . . .
F108 F 0.3323(3) 0.84491(13) 0.15207(18) 0.0600(9) Uani 1 1 d . . . . .
F102 F 0.1628(2) 0.58944(13) -0.04599(12) 0.0478(8) Uani 1 1 d . . . . .
F100 F 0.0208(2) 0.57724(12) -0.01302(13) 0.0438(7) Uani 1 1 d . . . . .
F101 F 0.1385(3) 0.51996(10) -0.00063(13) 0.0507(9) Uani 1 1 d . . . . .
F103 F 0.0017(2) 0.62790(12) 0.20903(13) 0.0417(7) Uani 1 1 d . . . . .
F104 F 0.1410(2) 0.64900(12) 0.27481(12) 0.0420(7) Uani 1 1 d . . . . .
F105 F 0.1037(3) 0.57024(11) 0.25707(14) 0.0496(8) Uani 1 1 d . . . . .
F119 F 0.8177(3) 0.64011(12) 0.08470(19) 0.0607(10) Uani 1 1 d . . . . .
F124 F 0.4390(2) 0.44705(10) 0.07981(14) 0.0393(6) Uani 1 1 d . . . . .
F122 F 0.5763(3) 0.43581(11) 0.15095(13) 0.0485(8) Uani 1 1 d . . . . .
F123 F 0.5832(3) 0.43025(11) 0.05050(15) 0.0473(8) Uani 1 1 d . . . . .
F107 F 0.4914(3) 0.83931(13) 0.19847(19) 0.0785(13) Uani 1 1 d . . . . .
F109 F 0.4510(4) 0.87824(12) 0.1090(2) 0.0761(12) Uani 1 1 d . . . . .
F114 F 0.8344(3) 0.69685(13) 0.31404(18) 0.0615(9) Uani 1 1 d . . . . .
F113 F 0.7594(3) 0.73521(15) 0.38313(16) 0.0706(11) Uani 1 1 d . . . . .
F115 F 0.7356(3) 0.75955(12) 0.28387(18) 0.0651(11) Uani 1 1 d . . . . .
F116 F 0.4505(4) 0.59946(18) 0.4148(2) 0.1009(17) Uani 1 1 d . . . . .
F118 F 0.4869(4) 0.53700(15) 0.36527(17) 0.0961(17) Uani 1 1 d . . . . .
F112 F 0.4223(7) 0.6956(3) -0.0926(4) 0.0543(12) Uiso 0.410(3) 1 d . . P A 1
F111 F 0.5351(8) 0.7575(4) -0.0752(4) 0.0640(13) Uiso 0.410(3) 1 d . . P A 1
F110 F 0.4447(9) 0.7880(4) -0.0875(5) 0.0718(15) Uiso 0.410(3) 1 d . . P A 1
F117 F 0.5907(7) 0.5874(3) 0.4449(4) 0.0555(12) Uiso 0.410(3) 1 d . . P A 1
F121 F 0.7534(6) 0.6273(3) -0.0024(4) 0.0509(11) Uiso 0.410(3) 1 d . . P A 1
F120 F 0.8636(8) 0.5641(4) 0.0944(4) 0.0546(13) Uiso 0.410(3) 1 d . . P A 1
F912 F 0.3698(5) 0.7121(2) -0.0921(3) 0.0543(12) Uiso 0.590(3) 1 d . . P A 2
F911 F 0.5361(5) 0.7258(3) -0.0743(3) 0.0640(13) Uiso 0.590(3) 1 d . . P A 2
F910 F 0.3850(6) 0.7782(3) -0.0957(3) 0.0718(15) Uiso 0.590(3) 1 d . . P A 2
F917 F 0.6095(5) 0.5637(2) 0.4282(3) 0.0555(12) Uiso 0.590(3) 1 d . . P A 2
F921 F 0.7791(4) 0.5912(2) -0.0038(3) 0.0509(11) Uiso 0.590(3) 1 d . . P A 2
F920 F 0.8571(5) 0.5661(3) 0.0700(3) 0.0546(13) Uiso 0.590(3) 1 d . . P A 2
C9 C 1.1617(4) 0.5107(2) 0.5102(2) 0.0401(12) Uani 1 1 d . . . . .
H8A H 1.160296 0.546796 0.516228 0.060 Uiso 1 1 calc R U . . .
H8B H 1.226236 0.497178 0.534280 0.060 Uiso 1 1 calc R U . . .
H8C H 1.103703 0.495435 0.525158 0.060 Uiso 1 1 calc R U . . .
O1 O 1.0147(2) 0.32687(11) 0.53191(13) 0.0272(6) Uani 1 1 d . . . . .
O2 O 1.0151(3) 0.27000(12) 0.45098(15) 0.0340(7) Uani 1 1 d . . . . .
C105 C 0.2676(3) 0.62856(13) 0.18594(17) 0.0166(7) Uani 1 1 d . . . . .
H105 H 0.297756 0.641747 0.226243 0.020 Uiso 1 1 calc R U . . .
C129 C 0.5008(3) 0.54750(14) 0.11473(17) 0.0196(7) Uani 1 1 d . . . . .
H129 H 0.440711 0.535769 0.127794 0.024 Uiso 1 1 calc R U . . .
N1 N 1.1681(3) 0.43241(13) 0.24126(16) 0.0267(7) Uani 1 1 d . . . . .
C28 C 1.2470(4) 0.43513(17) 0.2002(2) 0.0334(10) Uani 1 1 d . . . . .
C114 C 0.4290(4) 0.83754(17) 0.1414(3) 0.0383(11) Uani 1 1 d . . . . .
C112 C 0.4379(3) 0.78875(16) 0.1061(2) 0.0291(9) Uani 1 1 d . . . . .
C113 C 0.4403(3) 0.74275(15) 0.1396(2) 0.0235(8) Uani 1 1 d . . . . .
H4 H 0.435534 0.743376 0.183118 0.028 Uiso 1 1 calc R U . . .
C108 C 0.4495(3) 0.69584(15) 0.10994(18) 0.0212(8) Uani 1 1 d . . . . .
C124 C 0.5227(3) 0.59972(14) 0.11807(17) 0.0183(7) Uani 1 1 d . . . . .
C125 C 0.6154(3) 0.61455(15) 0.09841(17) 0.0199(7) Uani 1 1 d . . . . .
H2 H 0.633666 0.648767 0.100136 0.024 Uiso 1 1 calc R U . . .
C126 C 0.6807(3) 0.57978(16) 0.07651(18) 0.0235(8) Uani 1 1 d . . . . .
C131 C 0.7782(3) 0.5981(2) 0.0564(2) 0.0368(11) Uani 1 1 d . . . . .
C107 C 0.1234(3) 0.56948(15) 0.00209(18) 0.0211(8) Uani 1 1 d . . . . .
C102 C 0.1722(3) 0.59144(13) 0.06672(16) 0.0154(6) Uani 1 1 d . . . . .
C101 C 0.2778(3) 0.60416(13) 0.07904(16) 0.0147(6) Uani 1 1 d . . . . .
H10 H 0.315874 0.599739 0.046354 0.018 Uiso 1 1 calc R U . . .
C100 C 0.3296(3) 0.62350(13) 0.13911(16) 0.0152(7) Uani 1 1 d . . . . .
C104 C 0.1622(3) 0.61454(13) 0.17443(17) 0.0169(7) Uani 1 1 d . . . . .
C106 C 0.1020(3) 0.61569(16) 0.22833(19) 0.0241(8) Uani 1 1 d . . . . .
C103 C 0.1133(3) 0.59582(13) 0.11485(17) 0.0178(7) Uani 1 1 d . . . . .
H1 H 0.042965 0.586441 0.107203 0.021 Uiso 1 1 calc R U . . .
C128 C 0.5666(3) 0.51247(15) 0.09233(17) 0.0191(7) Uani 1 1 d . . . . .
C127 C 0.6568(3) 0.52823(16) 0.07301(18) 0.0231(8) Uani 1 1 d . . . . .
H3 H 0.700436 0.505021 0.058025 0.028 Uiso 1 1 calc R U . . .
C130 C 0.5415(3) 0.45672(16) 0.09322(18) 0.0253(8) Uani 1 1 d . . . . .
C109 C 0.4498(3) 0.69757(16) 0.04345(18) 0.0234(8) Uani 1 1 d . . . . .
H6 H 0.453649 0.667198 0.021463 0.028 Uiso 1 1 calc R U . . .
C110 C 0.4445(3) 0.74306(18) 0.0090(2) 0.0296(9) Uani 1 1 d . . . . .
C111 C 0.4396(3) 0.78910(17) 0.0402(2) 0.0308(9) Uani 1 1 d . . . . .
H5 H 0.437362 0.819568 0.017557 0.037 Uiso 1 1 calc R U . . .
C115 C 0.4465(4) 0.7416(2) -0.0617(2) 0.0418(12) Uani 1 1 d . . . . .
C116 C 0.5126(3) 0.64655(14) 0.22450(17) 0.0190(7) Uani 1 1 d . . . . .
C121 C 0.5953(3) 0.68043(15) 0.24334(18) 0.0240(8) Uani 1 1 d . . . . .
H9 H 0.612846 0.702215 0.212347 0.029 Uiso 1 1 calc R U . . .
C120 C 0.6529(4) 0.68323(17) 0.3061(2) 0.0295(9) Uani 1 1 d . . . . .
C122 C 0.7437(4) 0.71890(19) 0.3220(2) 0.0418(12) Uani 1 1 d . . . . .
C119 C 0.6299(3) 0.65124(17) 0.35354(19) 0.0284(9) Uani 1 1 d . . . . .
H7 H 0.667027 0.653361 0.395908 0.034 Uiso 1 1 calc R U . . .
C118 C 0.5502(3) 0.61597(17) 0.33644(18) 0.0253(8) Uani 1 1 d . . . . .
C123 C 0.5246(4) 0.5809(2) 0.3868(2) 0.0381(11) Uani 1 1 d . . . . .
C117 C 0.4944(3) 0.61340(16) 0.27333(18) 0.0232(8) Uani 1 1 d . . . . .
H8 H 0.442685 0.588684 0.262935 0.028 Uiso 1 1 calc R U . . .
C11 C 1.0357(3) 0.33726(14) 0.32739(17) 0.0201(8) Uani 1 1 d . . . . .
N4 N 0.9679(3) 0.30891(13) 0.28504(15) 0.0253(7) Uani 1 1 d . . . . .
C14 C 0.8674(4) 0.32774(17) 0.24729(19) 0.0318(10) Uani 1 1 d . . . . .
H14 H 0.846104 0.357111 0.270279 0.038 Uiso 1 1 calc R U . . .
C15 C 0.7816(4) 0.2875(2) 0.2429(2) 0.0448(13) Uani 1 1 d . . . . .
H12 H 0.794755 0.260601 0.214792 0.067 Uiso 1 1 calc R U . . .
H13 H 0.714698 0.302657 0.225886 0.067 Uiso 1 1 calc R U . . .
H11 H 0.781386 0.274080 0.285228 0.067 Uiso 1 1 calc R U . . .
C16 C 0.8814(5) 0.3458(2) 0.1808(2) 0.0459(14) Uani 1 1 d . . . . .
H15 H 0.935239 0.371238 0.185784 0.069 Uiso 1 1 calc R U . . .
H16 H 0.816639 0.359956 0.157930 0.069 Uiso 1 1 calc R U . . .
H17 H 0.901021 0.317570 0.156894 0.069 Uiso 1 1 calc R U . . .
C13 C 1.0051(4) 0.26013(17) 0.2826(2) 0.0339(10) Uani 1 1 d . . . . .
H18 H 0.973065 0.233904 0.256358 0.041 Uiso 1 1 calc R U . . .
C12 C 1.0959(4) 0.25763(16) 0.3250(2) 0.0328(10) Uani 1 1 d . . . . .
H19 H 1.138340 0.229086 0.334134 0.039 Uiso 1 1 calc R U . . .
N5 N 1.1155(3) 0.30553(12) 0.35312(16) 0.0241(7) Uani 1 1 d . . . . .
C17 C 1.2031(3) 0.31738(16) 0.4083(2) 0.0276(9) Uani 1 1 d . . . . .
C18 C 1.2611(4) 0.26837(19) 0.4324(3) 0.0404(12) Uani 1 1 d . . . . .
H21 H 1.212335 0.244291 0.443880 0.061 Uiso 1 1 calc R U . . .
H20 H 1.314399 0.275676 0.469691 0.061 Uiso 1 1 calc R U . . .
H22 H 1.292962 0.254392 0.398824 0.061 Uiso 1 1 calc R U . . .
C19 C 1.2794(4) 0.35431(19) 0.3858(2) 0.0375(11) Uani 1 1 d . . . . .
H23 H 1.305448 0.339630 0.350334 0.056 Uiso 1 1 calc R U . . .
H24 H 1.336990 0.360957 0.420942 0.056 Uiso 1 1 calc R U . . .
H25 H 1.243811 0.385554 0.372159 0.056 Uiso 1 1 calc R U . . .
C20 C 1.1564(3) 0.34074(16) 0.46367(18) 0.0242(8) Uani 1 1 d . . . . .
H27 H 1.133925 0.375095 0.451362 0.029 Uiso 1 1 calc R U . . .
H26 H 1.211886 0.343106 0.501721 0.029 Uiso 1 1 calc R U . . .
C21 C 0.9196(4) 0.29673(16) 0.5289(2) 0.0297(9) Uani 1 1 d . . . . .
C22 C 0.9401(4) 0.25033(15) 0.48749(19) 0.0266(9) Uani 1 1 d . . . . .
C24 C 0.8454(4) 0.2317(2) 0.4395(2) 0.0408(12) Uani 1 1 d . . . . .
H30 H 0.819288 0.258562 0.409930 0.061 Uiso 1 1 calc R U . . .
H28 H 0.791786 0.221344 0.462300 0.061 Uiso 1 1 calc R U . . .
H29 H 0.865210 0.203305 0.415850 0.061 Uiso 1 1 calc R U . . .
C23 C 0.9941(4) 0.20590(18) 0.5261(2) 0.0400(11) Uani 1 1 d . . . . .
H32 H 1.018634 0.182485 0.497385 0.060 Uiso 1 1 calc R U . . .
H31 H 0.945376 0.188994 0.547792 0.060 Uiso 1 1 calc R U . . .
H33 H 1.052523 0.218087 0.557491 0.060 Uiso 1 1 calc R U . . .
C26 C 0.8295(4) 0.3300(2) 0.4944(3) 0.0481(13) Uani 1 1 d . . . . .
H34 H 0.821927 0.358885 0.520905 0.072 Uiso 1 1 calc R U . . .
H36 H 0.765711 0.310656 0.486764 0.072 Uiso 1 1 calc R U . . .
H35 H 0.844402 0.341340 0.453796 0.072 Uiso 1 1 calc R U . . .
C25 C 0.9058(5) 0.2848(2) 0.5960(3) 0.0551(16) Uani 1 1 d . . . . .
H37 H 0.969005 0.269920 0.619840 0.083 Uiso 1 1 calc R U . . .
H38 H 0.848767 0.261335 0.594193 0.083 Uiso 1 1 calc R U . . .
H39 H 0.890628 0.315511 0.616981 0.083 Uiso 1 1 calc R U . . .
C1 C 0.9896(3) 0.48838(14) 0.35542(17) 0.0194(7) Uani 1 1 d . . . . .
N3 N 1.0526(3) 0.51679(12) 0.40111(15) 0.0208(7) Uani 1 1 d . . . . .
C8 C 1.1537(3) 0.49897(16) 0.43900(19) 0.0259(8) Uani 1 1 d . . . . .
H43 H 1.156293 0.461976 0.434260 0.031 Uiso 1 1 calc R U . . .
C10 C 1.2427(4) 0.5214(3) 0.4119(3) 0.0507(15) Uani 1 1 d . . . . .
H42 H 1.233395 0.513497 0.366651 0.076 Uiso 1 1 calc R U . . .
H41 H 1.307921 0.507389 0.434305 0.076 Uiso 1 1 calc R U . . .
H40 H 1.243540 0.557615 0.417500 0.076 Uiso 1 1 calc R U . . .
C2 C 1.0126(3) 0.56485(15) 0.4033(2) 0.0266(9) Uani 1 1 d . . . . .
H54 H 1.041721 0.590959 0.430793 0.032 Uiso 1 1 calc R U . . .
C3 C 0.9242(4) 0.56729(15) 0.3589(2) 0.0266(9) Uani 1 1 d . . . . .
H44 H 0.880385 0.595371 0.349526 0.032 Uiso 1 1 calc R U . . .
N2 N 0.9099(3) 0.52012(12) 0.32929(15) 0.0221(7) Uani 1 1 d . . . . .
C4 C 0.8181(3) 0.50667(17) 0.27672(18) 0.0274(9) Uani 1 1 d . . . . .
C7 C 0.7477(4) 0.4700(2) 0.3043(2) 0.0387(11) Uani 1 1 d . . . . .
H47 H 0.785468 0.439119 0.317244 0.058 Uiso 1 1 calc R U . . .
H45 H 0.686812 0.462444 0.271882 0.058 Uiso 1 1 calc R U . . .
H46 H 0.726496 0.485129 0.341139 0.058 Uiso 1 1 calc R U . . .
C5 C 0.8584(4) 0.48412(19) 0.2193(2) 0.0359(11) Uani 1 1 d . . . . .
H48 H 0.903653 0.508177 0.204213 0.054 Uiso 1 1 calc R U . . .
H50 H 0.800134 0.476493 0.185106 0.054 Uiso 1 1 calc R U . . .
H49 H 0.896764 0.453517 0.232675 0.054 Uiso 1 1 calc R U . . .
C6 C 0.7570(4) 0.55510(18) 0.2535(2) 0.0369(11) Uani 1 1 d . . . . .
H51 H 0.729061 0.569463 0.288514 0.055 Uiso 1 1 calc R U . . .
H53 H 0.700528 0.547031 0.218337 0.055 Uiso 1 1 calc R U . . .
H52 H 0.803040 0.579188 0.239219 0.055 Uiso 1 1 calc R U . . .
C27 C 1.1112(3) 0.42745(14) 0.27660(18) 0.0225(8) Uani 1 1 d . . . . .
C31 C 1.2054(5) 0.4690(2) 0.1441(2) 0.0492(14) Uani 1 1 d . . . . .
H55 H 1.141202 0.455143 0.120057 0.074 Uiso 1 1 calc R U . . .
H56 H 1.255883 0.471532 0.116534 0.074 Uiso 1 1 calc R U . . .
H57 H 1.192252 0.502218 0.159732 0.074 Uiso 1 1 calc R U . . .
C30 C 1.3463(5) 0.4592(3) 0.2417(3) 0.079(2) Uani 1 1 d . . . . .
H60 H 1.330258 0.492924 0.254319 0.119 Uiso 1 1 calc R U . . .
H58 H 1.400772 0.460875 0.216822 0.119 Uiso 1 1 calc R U . . .
H59 H 1.369452 0.438915 0.279592 0.119 Uiso 1 1 calc R U . . .
C29 C 1.2708(7) 0.3825(2) 0.1815(4) 0.079(3) Uani 1 1 d . . . . .
H61 H 1.291671 0.362297 0.219756 0.119 Uiso 1 1 calc R U . . .
H63 H 1.326600 0.383396 0.157643 0.119 Uiso 1 1 calc R U . . .
H62 H 1.209386 0.367959 0.155025 0.119 Uiso 1 1 calc R U . . .
B100 B 0.4521(3) 0.64122(16) 0.14850(18) 0.0160(8) Uani 1 1 d . . . . .
B1 B 1.0617(4) 0.31171(17) 0.4830(2) 0.0221(9) Uani 1 1 d . . . . .
H999 H 0.933(3) 0.3974(16) 0.396(2) 0.022(11) 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 0.0015 0.0009 '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'
N N 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0004 0.0004 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0096 0.0061 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -0.6812 5.7081 '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
C27 Pt1 C1 94.98(15) . . ?
C27 Pt1 C11 90.02(15) . . ?
C1 Pt1 C11 174.99(15) . . ?
C27 Pt1 H999 177.0(13) . . ?
C1 Pt1 H999 87.9(13) . . ?
C11 Pt1 H999 87.1(13) . . ?
C115 F111 F110 58.9(7) . . ?
C115 F110 F111 56.9(6) . . ?
C115 F912 F910 50.2(4) . . ?
C115 F910 F912 48.4(4) . . ?
C8 C9 H8A 109.5 . . ?
C8 C9 H8B 109.5 . . ?
H8A C9 H8B 109.5 . . ?
C8 C9 H8C 109.5 . . ?
H8A C9 H8C 109.5 . . ?
H8B C9 H8C 109.5 . . ?
B1 O1 C21 108.1(3) . . ?
B1 O2 C22 107.8(3) . . ?
C104 C105 C100 122.3(3) . . ?
C104 C105 H105 118.8 . . ?
C100 C105 H105 118.8 . . ?
C128 C129 C124 122.0(4) . . ?
C128 C129 H129 119.0 . . ?
C124 C129 H129 119.0 . . ?
C27 N1 C28 174.4(4) . . ?
N1 C28 C29 108.4(4) . . ?
N1 C28 C31 107.9(4) . . ?
C29 C28 C31 114.1(5) . . ?
N1 C28 C30 106.8(4) . . ?
C29 C28 C30 109.8(6) . . ?
C31 C28 C30 109.6(5) . . ?
F107 C114 F109 106.6(4) . . ?
F107 C114 F108 105.9(5) . . ?
F109 C114 F108 105.8(4) . . ?
F107 C114 C112 113.0(4) . . ?
F109 C114 C112 113.0(4) . . ?
F108 C114 C112 112.0(4) . . ?
C111 C112 C113 120.4(4) . . ?
C111 C112 C114 120.4(4) . . ?
C113 C112 C114 119.1(4) . . ?
C112 C113 C108 122.2(4) . . ?
C112 C113 H4 118.9 . . ?
C108 C113 H4 118.9 . . ?
C113 C108 C109 115.8(4) . . ?
C113 C108 B100 123.0(3) . . ?
C109 C108 B100 121.1(3) . . ?
C129 C124 C125 115.8(3) . . ?
C129 C124 B100 123.4(3) . . ?
C125 C124 B100 120.6(3) . . ?
C126 C125 C124 122.1(4) . . ?
C126 C125 H2 119.0 . . ?
C124 C125 H2 119.0 . . ?
C125 C126 C127 121.1(4) . . ?
C125 C126 C131 119.3(4) . . ?
C127 C126 C131 119.6(4) . . ?
F921 C131 F119 119.4(5) . . ?
F921 C131 F920 88.2(5) . . ?
F119 C131 F920 102.8(5) . . ?
F119 C131 F121 86.8(5) . . ?
F921 C131 C126 114.0(4) . . ?
F119 C131 C126 114.9(4) . . ?
F920 C131 C126 113.5(5) . . ?
F121 C131 C126 110.9(5) . . ?
F119 C131 F120 94.3(5) . . ?
F121 C131 F120 141.6(6) . . ?
C126 C131 F120 103.4(5) . . ?
F101 C107 F100 107.0(3) . . ?
F101 C107 F102 105.9(3) . . ?
F100 C107 F102 106.0(3) . . ?
F101 C107 C102 112.3(3) . . ?
F100 C107 C102 112.7(3) . . ?
F102 C107 C102 112.4(3) . . ?
C101 C102 C103 120.6(3) . . ?
C101 C102 C107 119.4(3) . . ?
C103 C102 C107 119.9(3) . . ?
C102 C101 C100 122.5(3) . . ?
C102 C101 H10 118.7 . . ?
C100 C101 H10 118.7 . . ?
C105 C100 C101 115.4(3) . . ?
C105 C100 B100 124.8(3) . . ?
C101 C100 B100 119.7(3) . . ?
C103 C104 C105 121.0(3) . . ?
C103 C104 C106 118.6(3) . . ?
C105 C104 C106 120.2(3) . . ?
F103 C106 F104 106.0(3) . . ?
F103 C106 F105 106.4(3) . . ?
F104 C106 F105 106.5(3) . . ?
F103 C106 C104 113.5(3) . . ?
F104 C106 C104 112.8(3) . . ?
F105 C106 C104 111.1(3) . . ?
C104 C103 C102 118.1(3) . . ?
C104 C103 H1 121.0 . . ?
C102 C103 H1 121.0 . . ?
C127 C128 C129 120.8(4) . . ?
C127 C128 C130 119.8(4) . . ?
C129 C128 C130 119.3(3) . . ?
C128 C127 C126 118.2(4) . . ?
C128 C127 H3 120.9 . . ?
C126 C127 H3 120.9 . . ?
F122 C130 F124 105.3(3) . . ?
F122 C130 F123 106.8(4) . . ?
F124 C130 F123 106.2(3) . . ?
F122 C130 C128 112.3(3) . . ?
F124 C130 C128 113.2(3) . . ?
F123 C130 C128 112.5(3) . . ?
C110 C109 C108 122.6(4) . . ?
C110 C109 H6 118.7 . . ?
C108 C109 H6 118.7 . . ?
C111 C110 C109 120.4(4) . . ?
C111 C110 C115 120.4(4) . . ?
C109 C110 C115 119.2(4) . . ?
C110 C111 C112 118.5(4) . . ?
C110 C111 H5 120.7 . . ?
C112 C111 H5 120.7 . . ?
F911 C115 F912 109.4(6) . . ?
F111 C115 F110 64.2(7) . . ?
F911 C115 F910 124.8(6) . . ?
F912 C115 F910 81.5(5) . . ?
F111 C115 F112 108.0(7) . . ?
F110 C115 F112 128.8(6) . . ?
F111 C115 C110 113.2(5) . . ?
F911 C115 C110 113.4(4) . . ?
F912 C115 C110 109.8(4) . . ?
F110 C115 C110 112.3(6) . . ?
F910 C115 C110 112.5(5) . . ?
F112 C115 C110 116.4(5) . . ?
C121 C116 C117 114.8(3) . . ?
C121 C116 B100 121.8(3) . . ?
C117 C116 B100 122.9(3) . . ?
C120 C121 C116 123.2(4) . . ?
C120 C121 H9 118.4 . . ?
C116 C121 H9 118.4 . . ?
C119 C120 C121 120.2(4) . . ?
C119 C120 C122 119.5(4) . . ?
C121 C120 C122 120.2(4) . . ?
F115 C122 F113 107.7(4) . . ?
F115 C122 F114 103.8(5) . . ?
F113 C122 F114 106.5(4) . . ?
F115 C122 C120 113.8(4) . . ?
F113 C122 C120 112.6(5) . . ?
F114 C122 C120 111.9(4) . . ?
C120 C119 C118 118.4(4) . . ?
C120 C119 H7 120.8 . . ?
C118 C119 H7 120.8 . . ?
C119 C118 C117 120.5(4) . . ?
C119 C118 C123 119.3(4) . . ?
C117 C118 C123 120.2(4) . . ?
F118 C123 F116 103.1(5) . . ?
F118 C123 F917 97.5(5) . . ?
F116 C123 F917 114.4(5) . . ?
F118 C123 F117 123.5(6) . . ?
F116 C123 F117 86.5(6) . . ?
F118 C123 C118 115.0(4) . . ?
F116 C123 C118 112.0(4) . . ?
F917 C123 C118 113.6(5) . . ?
F117 C123 C118 111.9(5) . . ?
C118 C117 C116 122.7(4) . . ?
C118 C117 H8 118.6 . . ?
C116 C117 H8 118.6 . . ?
N4 C11 N5 105.8(3) . . ?
N4 C11 Pt1 123.0(3) . . ?
N5 C11 Pt1 131.0(3) . . ?
C11 N4 C13 110.6(4) . . ?
C11 N4 C14 124.5(3) . . ?
C13 N4 C14 125.0(4) . . ?
N4 C14 C16 110.4(4) . . ?
N4 C14 C15 111.1(4) . . ?
C16 C14 C15 112.2(4) . . ?
N4 C14 H14 107.7 . . ?
C16 C14 H14 107.7 . . ?
C15 C14 H14 107.7 . . ?
C14 C15 H12 109.5 . . ?
C14 C15 H13 109.5 . . ?
H12 C15 H13 109.5 . . ?
C14 C15 H11 109.5 . . ?
H12 C15 H11 109.5 . . ?
H13 C15 H11 109.5 . . ?
C14 C16 H15 109.5 . . ?
C14 C16 H16 109.5 . . ?
H15 C16 H16 109.5 . . ?
C14 C16 H17 109.5 . . ?
H15 C16 H17 109.5 . . ?
H16 C16 H17 109.5 . . ?
C12 C13 N4 107.0(4) . . ?
C12 C13 H18 126.5 . . ?
N4 C13 H18 126.5 . . ?
C13 C12 N5 107.7(4) . . ?
C13 C12 H19 126.2 . . ?
N5 C12 H19 126.2 . . ?
C11 N5 C12 108.9(3) . . ?
C11 N5 C17 126.1(3) . . ?
C12 N5 C17 124.6(3) . . ?
N5 C17 C19 109.6(3) . . ?
N5 C17 C18 109.5(4) . . ?
C19 C17 C18 109.4(4) . . ?
N5 C17 C20 108.6(3) . . ?
C19 C17 C20 110.8(4) . . ?
C18 C17 C20 109.0(4) . . ?
C17 C18 H21 109.5 . . ?
C17 C18 H20 109.5 . . ?
H21 C18 H20 109.5 . . ?
C17 C18 H22 109.5 . . ?
H21 C18 H22 109.5 . . ?
H20 C18 H22 109.5 . . ?
C17 C19 H23 109.5 . . ?
C17 C19 H24 109.5 . . ?
H23 C19 H24 109.5 . . ?
C17 C19 H25 109.5 . . ?
H23 C19 H25 109.5 . . ?
H24 C19 H25 109.5 . . ?
C17 C20 B1 116.5(3) . . ?
C17 C20 H27 108.2 . . ?
B1 C20 H27 108.2 . . ?
C17 C20 H26 108.2 . . ?
B1 C20 H26 108.2 . . ?
H27 C20 H26 107.3 . . ?
O1 C21 C25 109.3(4) . . ?
O1 C21 C26 105.9(4) . . ?
C25 C21 C26 110.4(5) . . ?
O1 C21 C22 102.4(3) . . ?
C25 C21 C22 115.6(4) . . ?
C26 C21 C22 112.5(4) . . ?
O2 C22 C24 107.7(3) . . ?
O2 C22 C23 105.7(4) . . ?
C24 C22 C23 109.8(4) . . ?
O2 C22 C21 102.9(3) . . ?
C24 C22 C21 115.0(4) . . ?
C23 C22 C21 114.7(4) . . ?
C22 C24 H30 109.5 . . ?
C22 C24 H28 109.5 . . ?
H30 C24 H28 109.5 . . ?
C22 C24 H29 109.5 . . ?
H30 C24 H29 109.5 . . ?
H28 C24 H29 109.5 . . ?
C22 C23 H32 109.5 . . ?
C22 C23 H31 109.5 . . ?
H32 C23 H31 109.5 . . ?
C22 C23 H33 109.5 . . ?
H32 C23 H33 109.5 . . ?
H31 C23 H33 109.5 . . ?
C21 C26 H34 109.5 . . ?
C21 C26 H36 109.5 . . ?
H34 C26 H36 109.5 . . ?
C21 C26 H35 109.5 . . ?
H34 C26 H35 109.5 . . ?
H36 C26 H35 109.5 . . ?
C21 C25 H37 109.5 . . ?
C21 C25 H38 109.5 . . ?
H37 C25 H38 109.5 . . ?
C21 C25 H39 109.5 . . ?
H37 C25 H39 109.5 . . ?
H38 C25 H39 109.5 . . ?
N3 C1 N2 104.8(3) . . ?
N3 C1 Pt1 123.3(3) . . ?
N2 C1 Pt1 131.8(3) . . ?
C1 N3 C2 110.6(3) . . ?
C1 N3 C8 123.9(3) . . ?
C2 N3 C8 125.3(3) . . ?
N3 C8 C10 109.9(4) . . ?
N3 C8 C9 110.7(4) . . ?
C10 C8 C9 112.7(4) . . ?
N3 C8 H43 107.8 . . ?
C10 C8 H43 107.8 . . ?
C9 C8 H43 107.8 . . ?
C8 C10 H42 109.5 . . ?
C8 C10 H41 109.5 . . ?
H42 C10 H41 109.5 . . ?
C8 C10 H40 109.5 . . ?
H42 C10 H40 109.5 . . ?
H41 C10 H40 109.5 . . ?
C3 C2 N3 107.5(4) . . ?
C3 C2 H54 126.3 . . ?
N3 C2 H54 126.3 . . ?
C2 C3 N2 107.1(4) . . ?
C2 C3 H44 126.5 . . ?
N2 C3 H44 126.5 . . ?
C1 N2 C3 110.1(3) . . ?
C1 N2 C4 125.9(3) . . ?
C3 N2 C4 124.0(3) . . ?
N2 C4 C7 108.6(3) . . ?
N2 C4 C5 109.2(4) . . ?
C7 C4 C5 112.3(4) . . ?
N2 C4 C6 109.1(4) . . ?
C7 C4 C6 109.7(4) . . ?
C5 C4 C6 107.9(3) . . ?
C4 C7 H47 109.5 . . ?
C4 C7 H45 109.5 . . ?
H47 C7 H45 109.5 . . ?
C4 C7 H46 109.5 . . ?
H47 C7 H46 109.5 . . ?
H45 C7 H46 109.5 . . ?
C4 C5 H48 109.5 . . ?
C4 C5 H50 109.5 . . ?
H48 C5 H50 109.5 . . ?
C4 C5 H49 109.5 . . ?
H48 C5 H49 109.5 . . ?
H50 C5 H49 109.5 . . ?
C4 C6 H51 109.5 . . ?
C4 C6 H53 109.5 . . ?
H51 C6 H53 109.5 . . ?
C4 C6 H52 109.5 . . ?
H51 C6 H52 109.5 . . ?
H53 C6 H52 109.5 . . ?
N1 C27 Pt1 175.7(3) . . ?
C28 C31 H55 109.5 . . ?
C28 C31 H56 109.5 . . ?
H55 C31 H56 109.5 . . ?
C28 C31 H57 109.5 . . ?
H55 C31 H57 109.5 . . ?
H56 C31 H57 109.5 . . ?
C28 C30 H60 109.5 . . ?
C28 C30 H58 109.5 . . ?
H60 C30 H58 109.5 . . ?
C28 C30 H59 109.5 . . ?
H60 C30 H59 109.5 . . ?
H58 C30 H59 109.5 . . ?
C28 C29 H61 109.5 . . ?
C28 C29 H63 109.5 . . ?
H61 C29 H63 109.5 . . ?
C28 C29 H62 109.5 . . ?
H61 C29 H62 109.5 . . ?
H63 C29 H62 109.5 . . ?
C100 B100 C124 111.7(3) . . ?
C100 B100 C116 114.3(3) . . ?
C124 B100 C116 103.9(3) . . ?
C100 B100 C108 105.2(3) . . ?
C124 B100 C108 110.4(3) . . ?
C116 B100 C108 111.4(3) . . ?
O1 B1 O2 112.9(4) . . ?
O1 B1 C20 123.1(4) . . ?
O2 B1 C20 124.0(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 C27 1.993(4) . ?
Pt1 C1 2.042(4) . ?
Pt1 C11 2.044(4) . ?
Pt1 H999 1.84(4) . ?
F108 C114 1.334(6) . ?
F102 C107 1.329(5) . ?
F100 C107 1.325(5) . ?
F101 C107 1.321(5) . ?
F103 C106 1.327(5) . ?
F104 C106 1.339(5) . ?
F105 C106 1.339(5) . ?
F119 C131 1.312(5) . ?
F124 C130 1.332(5) . ?
F122 C130 1.331(5) . ?
F123 C130 1.334(5) . ?
F107 C114 1.314(6) . ?
F109 C114 1.331(6) . ?
F114 C122 1.354(7) . ?
F113 C122 1.334(6) . ?
F115 C122 1.330(6) . ?
F116 C123 1.318(7) . ?
F118 C123 1.302(6) . ?
F112 C115 1.380(10) . ?
F111 C115 1.308(11) . ?
F111 F110 1.405(14) . ?
F110 C115 1.336(11) . ?
F117 C123 1.364(9) . ?
F121 C131 1.439(9) . ?
F120 C131 1.526(11) . ?
F912 C115 1.326(8) . ?
F912 F910 1.754(9) . ?
F911 C115 1.312(8) . ?
F910 C115 1.361(8) . ?
F917 C123 1.346(7) . ?
F921 C131 1.282(7) . ?
F920 C131 1.315(8) . ?
C9 C8 1.514(6) . ?
C9 H8A 0.9600 . ?
C9 H8B 0.9600 . ?
C9 H8C 0.9600 . ?
O1 B1 1.357(5) . ?
O1 C21 1.460(5) . ?
O2 B1 1.366(5) . ?
O2 C22 1.450(5) . ?
C105 C104 1.395(5) . ?
C105 C100 1.396(5) . ?
C105 H105 0.9300 . ?
C129 C128 1.401(5) . ?
C129 C124 1.403(5) . ?
C129 H129 0.9300 . ?
N1 C27 1.154(5) . ?
N1 C28 1.468(5) . ?
C28 C29 1.488(7) . ?
C28 C31 1.495(6) . ?
C28 C30 1.547(8) . ?
C114 C112 1.499(6) . ?
C112 C111 1.393(6) . ?
C112 C113 1.399(6) . ?
C113 C108 1.400(6) . ?
C113 H4 0.9300 . ?
C108 C109 1.402(5) . ?
C108 B100 1.648(6) . ?
C124 C125 1.404(5) . ?
C124 B100 1.635(6) . ?
C125 C126 1.386(5) . ?
C125 H2 0.9300 . ?
C126 C127 1.391(6) . ?
C126 C131 1.494(6) . ?
C107 C102 1.501(5) . ?
C102 C101 1.388(5) . ?
C102 C103 1.390(5) . ?
C101 C100 1.407(5) . ?
C101 H10 0.9300 . ?
C100 B100 1.635(5) . ?
C104 C103 1.382(5) . ?
C104 C106 1.499(5) . ?
C103 H1 0.9300 . ?
C128 C127 1.377(5) . ?
C128 C130 1.504(6) . ?
C127 H3 0.9300 . ?
C109 C110 1.395(6) . ?
C109 H6 0.9300 . ?
C110 C111 1.386(6) . ?
C110 C115 1.496(6) . ?
C111 H5 0.9300 . ?
C116 C121 1.394(5) . ?
C116 C117 1.404(5) . ?
C116 B100 1.646(5) . ?
C121 C120 1.388(5) . ?
C121 H9 0.9300 . ?
C120 C119 1.383(6) . ?
C120 C122 1.495(6) . ?
C119 C118 1.385(6) . ?
C119 H7 0.9300 . ?
C118 C117 1.387(5) . ?
C118 C123 1.491(6) . ?
C117 H8 0.9300 . ?
C11 N4 1.350(5) . ?
C11 N5 1.359(5) . ?
N4 C13 1.376(5) . ?
N4 C14 1.477(6) . ?
C14 C16 1.522(6) . ?
C14 C15 1.527(7) . ?
C14 H14 0.9800 . ?
C15 H12 0.9600 . ?
C15 H13 0.9600 . ?
C15 H11 0.9600 . ?
C16 H15 0.9600 . ?
C16 H16 0.9600 . ?
C16 H17 0.9600 . ?
C13 C12 1.336(7) . ?
C13 H18 0.9300 . ?
C12 N5 1.395(5) . ?
C12 H19 0.9300 . ?
N5 C17 1.494(5) . ?
C17 C19 1.528(6) . ?
C17 C18 1.530(6) . ?
C17 C20 1.544(6) . ?
C18 H21 0.9600 . ?
C18 H20 0.9600 . ?
C18 H22 0.9600 . ?
C19 H23 0.9600 . ?
C19 H24 0.9600 . ?
C19 H25 0.9600 . ?
C20 B1 1.568(6) . ?
C20 H27 0.9700 . ?
C20 H26 0.9700 . ?
C21 C25 1.492(6) . ?
C21 C26 1.528(7) . ?
C21 C22 1.554(6) . ?
C22 C24 1.515(6) . ?
C22 C23 1.516(6) . ?
C24 H30 0.9600 . ?
C24 H28 0.9600 . ?
C24 H29 0.9600 . ?
C23 H32 0.9600 . ?
C23 H31 0.9600 . ?
C23 H33 0.9600 . ?
C26 H34 0.9600 . ?
C26 H36 0.9600 . ?
C26 H35 0.9600 . ?
C25 H37 0.9600 . ?
C25 H38 0.9600 . ?
C25 H39 0.9600 . ?
C1 N3 1.359(5) . ?
C1 N2 1.361(5) . ?
N3 C2 1.372(5) . ?
N3 C8 1.475(5) . ?
C8 C10 1.507(6) . ?
C8 H43 0.9800 . ?
C10 H42 0.9600 . ?
C10 H41 0.9600 . ?
C10 H40 0.9600 . ?
C2 C3 1.336(6) . ?
C2 H54 0.9300 . ?
C3 N2 1.385(5) . ?
C3 H44 0.9300 . ?
N2 C4 1.504(5) . ?
C4 C7 1.521(7) . ?
C4 C5 1.528(6) . ?
C4 C6 1.531(6) . ?
C7 H47 0.9600 . ?
C7 H45 0.9600 . ?
C7 H46 0.9600 . ?
C5 H48 0.9600 . ?
C5 H50 0.9600 . ?
C5 H49 0.9600 . ?
C6 H51 0.9600 . ?
C6 H53 0.9600 . ?
C6 H52 0.9600 . ?
C31 H55 0.9600 . ?
C31 H56 0.9600 . ?
C31 H57 0.9600 . ?
C30 H60 0.9600 . ?
C30 H58 0.9600 . ?
C30 H59 0.9600 . ?
C29 H61 0.9600 . ?
C29 H63 0.9600 . ?
C29 H62 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F107 C114 C112 C111 -137.8(5) . . . . ?
F109 C114 C112 C111 -16.7(7) . . . . ?
F108 C114 C112 C111 102.7(5) . . . . ?
F107 C114 C112 C113 44.8(6) . . . . ?
F109 C114 C112 C113 165.9(4) . . . . ?
F108 C114 C112 C113 -74.7(5) . . . . ?
C111 C112 C113 C108 3.2(6) . . . . ?
C114 C112 C113 C108 -179.4(4) . . . . ?
C112 C113 C108 C109 -3.8(6) . . . . ?
C112 C113 C108 B100 -179.9(4) . . . . ?
C128 C129 C124 C125 -0.9(5) . . . . ?
C128 C129 C124 B100 -175.7(3) . . . . ?
C129 C124 C125 C126 0.6(5) . . . . ?
B100 C124 C125 C126 175.6(3) . . . . ?
C124 C125 C126 C127 0.0(6) . . . . ?
C124 C125 C126 C131 -180.0(4) . . . . ?
C125 C126 C131 F921 -115.9(5) . . . . ?
C127 C126 C131 F921 64.1(6) . . . . ?
C125 C126 C131 F119 27.2(6) . . . . ?
C127 C126 C131 F119 -152.8(4) . . . . ?
C125 C126 C131 F920 145.2(5) . . . . ?
C127 C126 C131 F920 -34.9(6) . . . . ?
C125 C126 C131 F121 -69.2(6) . . . . ?
C127 C126 C131 F121 110.8(6) . . . . ?
C125 C126 C131 F120 128.5(5) . . . . ?
C127 C126 C131 F120 -51.5(6) . . . . ?
F101 C107 C102 C101 83.6(4) . . . . ?
F100 C107 C102 C101 -155.4(3) . . . . ?
F102 C107 C102 C101 -35.7(5) . . . . ?
F101 C107 C102 C103 -92.3(4) . . . . ?
F100 C107 C102 C103 28.6(5) . . . . ?
F102 C107 C102 C103 148.3(3) . . . . ?
C103 C102 C101 C100 -2.2(5) . . . . ?
C107 C102 C101 C100 -178.1(3) . . . . ?
C104 C105 C100 C101 1.1(5) . . . . ?
C104 C105 C100 B100 177.5(3) . . . . ?
C102 C101 C100 C105 0.7(5) . . . . ?
C102 C101 C100 B100 -175.9(3) . . . . ?
C100 C105 C104 C103 -1.5(5) . . . . ?
C100 C105 C104 C106 173.7(3) . . . . ?
C103 C104 C106 F103 -38.1(5) . . . . ?
C105 C104 C106 F103 146.7(4) . . . . ?
C103 C104 C106 F104 -158.7(3) . . . . ?
C105 C104 C106 F104 26.1(5) . . . . ?
C103 C104 C106 F105 81.8(4) . . . . ?
C105 C104 C106 F105 -93.4(4) . . . . ?
C105 C104 C103 C102 -0.1(5) . . . . ?
C106 C104 C103 C102 -175.3(3) . . . . ?
C101 C102 C103 C104 1.8(5) . . . . ?
C107 C102 C103 C104 177.7(3) . . . . ?
C124 C129 C128 C127 0.5(5) . . . . ?
C124 C129 C128 C130 176.9(3) . . . . ?
C129 C128 C127 C126 0.2(5) . . . . ?
C130 C128 C127 C126 -176.2(3) . . . . ?
C125 C126 C127 C128 -0.4(6) . . . . ?
C131 C126 C127 C128 179.6(4) . . . . ?
C127 C128 C130 F122 93.5(4) . . . . ?
C129 C128 C130 F122 -82.9(5) . . . . ?
C127 C128 C130 F124 -147.5(3) . . . . ?
C129 C128 C130 F124 36.1(5) . . . . ?
C127 C128 C130 F123 -27.1(5) . . . . ?
C129 C128 C130 F123 156.5(3) . . . . ?
C113 C108 C109 C110 1.9(6) . . . . ?
B100 C108 C109 C110 178.1(4) . . . . ?
C108 C109 C110 C111 0.5(6) . . . . ?
C108 C109 C110 C115 179.3(4) . . . . ?
C109 C110 C111 C112 -1.2(6) . . . . ?
C115 C110 C111 C112 -180.0(4) . . . . ?
C113 C112 C111 C110 -0.6(6) . . . . ?
C114 C112 C111 C110 -178.0(4) . . . . ?
F110 F111 C115 F112 125.0(7) . . . . ?
F110 F111 C115 C110 -104.6(7) . . . . ?
F910 F912 C115 F911 -124.0(6) . . . . ?
F910 F912 C115 C110 111.0(6) . . . . ?
F111 F110 C115 F112 -93.0(10) . . . . ?
F111 F110 C115 C110 105.9(6) . . . . ?
F912 F910 C115 F911 107.7(8) . . . . ?
F912 F910 C115 C110 -107.9(5) . . . . ?
C111 C110 C115 F111 71.4(8) . . . . ?
C109 C110 C115 F111 -107.4(7) . . . . ?
C111 C110 C115 F911 112.0(6) . . . . ?
C109 C110 C115 F911 -66.8(7) . . . . ?
C111 C110 C115 F912 -125.3(5) . . . . ?
C109 C110 C115 F912 55.9(6) . . . . ?
C111 C110 C115 F110 1.0(8) . . . . ?
C109 C110 C115 F110 -177.8(7) . . . . ?
C111 C110 C115 F910 -36.6(7) . . . . ?
C109 C110 C115 F910 144.6(5) . . . . ?
C111 C110 C115 F112 -162.6(6) . . . . ?
C109 C110 C115 F112 18.7(8) . . . . ?
C117 C116 C121 C120 -2.9(6) . . . . ?
B100 C116 C121 C120 -175.1(4) . . . . ?
C116 C121 C120 C119 0.5(7) . . . . ?
C116 C121 C120 C122 177.2(4) . . . . ?
C119 C120 C122 F115 -155.5(5) . . . . ?
C121 C120 C122 F115 27.7(7) . . . . ?
C119 C120 C122 F113 -32.7(6) . . . . ?
C121 C120 C122 F113 150.6(4) . . . . ?
C119 C120 C122 F114 87.3(6) . . . . ?
C121 C120 C122 F114 -89.5(5) . . . . ?
C121 C120 C119 C118 1.4(7) . . . . ?
C122 C120 C119 C118 -175.3(4) . . . . ?
C120 C119 C118 C117 -0.7(6) . . . . ?
C120 C119 C118 C123 179.7(4) . . . . ?
C119 C118 C123 F118 -150.8(5) . . . . ?
C117 C118 C123 F118 29.6(7) . . . . ?
C119 C118 C123 F116 91.9(6) . . . . ?
C117 C118 C123 F116 -87.7(6) . . . . ?
C119 C118 C123 F917 -39.5(7) . . . . ?
C117 C118 C123 F917 140.9(5) . . . . ?
C119 C118 C123 F117 -3.3(8) . . . . ?
C117 C118 C123 F117 177.1(6) . . . . ?
C119 C118 C117 C116 -1.9(6) . . . . ?
C123 C118 C117 C116 177.7(4) . . . . ?
C121 C116 C117 C118 3.6(6) . . . . ?
B100 C116 C117 C118 175.7(4) . . . . ?
N5 C11 N4 C13 -1.5(4) . . . . ?
Pt1 C11 N4 C13 173.7(3) . . . . ?
N5 C11 N4 C14 177.9(4) . . . . ?
Pt1 C11 N4 C14 -6.9(5) . . . . ?
C11 N4 C14 C16 94.3(5) . . . . ?
C13 N4 C14 C16 -86.4(5) . . . . ?
C11 N4 C14 C15 -140.6(4) . . . . ?
C13 N4 C14 C15 38.7(6) . . . . ?
C11 N4 C13 C12 1.5(5) . . . . ?
C14 N4 C13 C12 -177.9(4) . . . . ?
N4 C13 C12 N5 -0.9(5) . . . . ?
N4 C11 N5 C12 0.9(4) . . . . ?
Pt1 C11 N5 C12 -173.8(3) . . . . ?
N4 C11 N5 C17 -171.9(3) . . . . ?
Pt1 C11 N5 C17 13.4(6) . . . . ?
C13 C12 N5 C11 0.0(5) . . . . ?
C13 C12 N5 C17 173.0(4) . . . . ?
C11 N5 C17 C19 -73.1(5) . . . . ?
C12 N5 C17 C19 115.1(4) . . . . ?
C11 N5 C17 C18 166.9(4) . . . . ?
C12 N5 C17 C18 -4.9(5) . . . . ?
C11 N5 C17 C20 48.0(5) . . . . ?
C12 N5 C17 C20 -123.8(4) . . . . ?
N5 C17 C20 B1 48.6(4) . . . . ?
C19 C17 C20 B1 169.0(3) . . . . ?
C18 C17 C20 B1 -70.6(5) . . . . ?
B1 O1 C21 C25 142.4(4) . . . . ?
B1 O1 C21 C26 -98.7(4) . . . . ?
B1 O1 C21 C22 19.3(4) . . . . ?
B1 O2 C22 C24 142.7(4) . . . . ?
B1 O2 C22 C23 -99.9(4) . . . . ?
B1 O2 C22 C21 20.7(4) . . . . ?
O1 C21 C22 O2 -23.9(4) . . . . ?
C25 C21 C22 O2 -142.6(4) . . . . ?
C26 C21 C22 O2 89.3(4) . . . . ?
O1 C21 C22 C24 -140.8(4) . . . . ?
C25 C21 C22 C24 100.5(5) . . . . ?
C26 C21 C22 C24 -27.6(5) . . . . ?
O1 C21 C22 C23 90.4(4) . . . . ?
C25 C21 C22 C23 -28.3(6) . . . . ?
C26 C21 C22 C23 -156.4(4) . . . . ?
N2 C1 N3 C2 0.2(4) . . . . ?
Pt1 C1 N3 C2 -177.4(3) . . . . ?
N2 C1 N3 C8 -175.4(3) . . . . ?
Pt1 C1 N3 C8 7.0(5) . . . . ?
C1 N3 C8 C10 101.7(5) . . . . ?
C2 N3 C8 C10 -73.3(5) . . . . ?
C1 N3 C8 C9 -133.2(4) . . . . ?
C2 N3 C8 C9 51.8(5) . . . . ?
C1 N3 C2 C3 -0.2(5) . . . . ?
C8 N3 C2 C3 175.3(4) . . . . ?
N3 C2 C3 N2 0.1(5) . . . . ?
N3 C1 N2 C3 -0.1(4) . . . . ?
Pt1 C1 N2 C3 177.1(3) . . . . ?
N3 C1 N2 C4 -179.2(3) . . . . ?
Pt1 C1 N2 C4 -1.9(6) . . . . ?
C2 C3 N2 C1 0.0(5) . . . . ?
C2 C3 N2 C4 179.1(4) . . . . ?
C1 N2 C4 C7 69.9(5) . . . . ?
C3 N2 C4 C7 -109.1(4) . . . . ?
C1 N2 C4 C5 -52.8(5) . . . . ?
C3 N2 C4 C5 128.2(4) . . . . ?
C1 N2 C4 C6 -170.6(4) . . . . ?
C3 N2 C4 C6 10.5(5) . . . . ?
C105 C100 B100 C124 138.8(3) . . . . ?
C101 C100 B100 C124 -44.9(4) . . . . ?
C105 C100 B100 C116 21.2(5) . . . . ?
C101 C100 B100 C116 -162.6(3) . . . . ?
C105 C100 B100 C108 -101.3(4) . . . . ?
C101 C100 B100 C108 74.9(4) . . . . ?
C129 C124 B100 C100 -29.9(5) . . . . ?
C125 C124 B100 C100 155.5(3) . . . . ?
C129 C124 B100 C116 93.8(4) . . . . ?
C125 C124 B100 C116 -80.8(4) . . . . ?
C129 C124 B100 C108 -146.6(3) . . . . ?
C125 C124 B100 C108 38.8(4) . . . . ?
C121 C116 B100 C100 -151.4(4) . . . . ?
C117 C116 B100 C100 37.0(5) . . . . ?
C121 C116 B100 C124 86.6(4) . . . . ?
C117 C116 B100 C124 -85.0(4) . . . . ?
C121 C116 B100 C108 -32.3(5) . . . . ?
C117 C116 B100 C108 156.1(3) . . . . ?
C113 C108 B100 C100 89.7(4) . . . . ?
C109 C108 B100 C100 -86.2(4) . . . . ?
C113 C108 B100 C124 -149.6(3) . . . . ?
C109 C108 B100 C124 34.5(5) . . . . ?
C113 C108 B100 C116 -34.6(5) . . . . ?
C109 C108 B100 C116 149.4(3) . . . . ?
C21 O1 B1 O2 -7.2(5) . . . . ?
C21 O1 B1 C20 170.3(4) . . . . ?
C22 O2 B1 O1 -9.5(5) . . . . ?
C22 O2 B1 C20 173.0(4) . . . . ?
C17 C20 B1 O1 178.0(4) . . . . ?
C17 C20 B1 O2 -4.7(6) . . . . ?
