#------------------------------------------------------------------------------
#$Date: 2019-11-10 19:12:35 +0200 (Sun, 10 Nov 2019) $
#$Revision: 226010 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/59/4515931.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_4515931
loop_
_publ_author_name
'Alemayehu, Abraham B.'
'McCormick, Laura J.'
'Gagnon, Kevin J.'
'Borisov, Sergey M.'
'Ghosh, Abhik'
_publ_section_title
;
 Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and
 Room-Temperature Near-IR Phosphorescence.
;
_journal_issue                   8
_journal_name_full               'ACS omega'
_journal_page_first              9360
_journal_page_last               9368
_journal_paper_doi               10.1021/acsomega.8b01149
_journal_volume                  3
_journal_year                    2018
_chemical_formula_sum            'C52 H29 F9 N6 Pt'
_chemical_formula_weight         1103.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                90
_cell_angle_beta                 111.553(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.9584(10)
_cell_length_b                   16.8577(8)
_cell_length_c                   14.0096(7)
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.13
_cell_measurement_theta_min      2.46
_cell_volume                     4164.3(4)
_computing_cell_refinement       'SAINT V8.37A Bruker-AXS, Madison WI'
_computing_data_collection       'Bruker APEX3 Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.37A Bruker-AXS, Madison WI'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.8857
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20649
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        32.101
_diffrn_reflns_theta_max         35.196
_diffrn_reflns_theta_min         2.083
_diffrn_source
;
Advanced Light Source, station 11.3.1
;
_exptl_absorpt_coefficient_mu    5.858
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2014/5 - Bruker AXS, Madison WI'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_description       plate
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.968
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4807
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0345
_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)+(0.0281P)²+13.4510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0746
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4116
_reflns_number_total             4807
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ao8b01149_si_002.cif
_cod_data_source_block           PtCF3_a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4515931
_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   0.758
_shelx_estimated_absorpt_t_max   0.944
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
C1 C 0.4772(2) 0.0004(2) 0.6961(3) 0.0281(8) Uani 1 1 d . . . . .
C2 C 0.4414(2) -0.0520(2) 0.6138(3) 0.0342(10) Uani 1 1 d . . . . .
H2 H 0.443331 -0.108236 0.617030 0.041 Uiso 1 1 calc R U . . .
C3 C 0.4031(2) -0.0073(2) 0.5278(3) 0.0317(9) Uani 1 1 d . . . . .
H3 H 0.373777 -0.027482 0.461799 0.038 Uiso 1 1 calc R U . . .
C4 C 0.4153(2) 0.0749(2) 0.5554(3) 0.0252(8) Uani 1 1 d . . . . .
C5 C 0.3865(2) 0.1464(2) 0.5018(3) 0.0250(8) Uani 1 1 d . . . . .
C6 C 0.4035(2) 0.2238(2) 0.5441(3) 0.0254(8) Uani 1 1 d . . . . .
C7 C 0.3781(2) 0.2983(2) 0.4926(3) 0.0269(8) Uani 1 1 d . . . . .
H7 H 0.345009 0.304792 0.423199 0.032 Uiso 1 1 calc R U . . .
C8 C 0.4097(2) 0.3579(2) 0.5606(3) 0.0273(8) Uani 1 1 d . . . . .
H8 H 0.402013 0.412998 0.546644 0.033 Uiso 1 1 calc R U . . .
C9 C 0.4564(2) 0.32365(19) 0.6569(3) 0.0245(8) Uani 1 1 d . . . . .
C10 C 0.500000 0.3621(3) 0.750000 0.0240(11) Uani 1 2 d S T P . .
C11 C 0.3323(2) 0.1377(2) 0.3934(3) 0.0245(8) Uani 1 1 d . . . . .
C12 C 0.3564(3) 0.1015(3) 0.3209(3) 0.0396(10) Uani 1 1 d . . . . .
H12 H 0.407877 0.085987 0.339437 0.047 Uiso 1 1 calc R U . . .
C13 C 0.3054(3) 0.0884(3) 0.2224(3) 0.0435(11) Uani 1 1 d . . . . .
H13 H 0.322098 0.063677 0.173445 0.052 Uiso 1 1 calc R U . . .
C14 C 0.2314(2) 0.1106(2) 0.1947(3) 0.0328(9) Uani 1 1 d . . . . .
C15 C 0.2069(2) 0.1465(2) 0.2652(3) 0.0350(10) Uani 1 1 d . . . . .
H15 H 0.155323 0.161709 0.246069 0.042 Uiso 1 1 calc R U . . .
C16 C 0.2576(2) 0.1605(2) 0.3639(3) 0.0321(8) Uani 1 1 d . . . . .
H16 H 0.240658 0.186238 0.411895 0.039 Uiso 1 1 calc R U . . .
C17 C 0.500000 0.4511(3) 0.750000 0.0285(12) Uani 1 2 d S T P . .
C18 C 0.4794(3) 0.4930(2) 0.8210(3) 0.0402(10) Uani 1 1 d . . . . .
H18 H 0.465334 0.465029 0.870103 0.048 Uiso 1 1 calc R U . . .
C19 C 0.4792(4) 0.5762(3) 0.8210(4) 0.0577(15) Uani 1 1 d . . . . .
H19 H 0.464916 0.604620 0.869593 0.069 Uiso 1 1 calc R U . . .
C20 C 0.500000 0.6159(4) 0.750000 0.067(3) Uani 1 2 d S T P . .
C21 C 0.1775(3) 0.0912(3) 0.0881(4) 0.0527(12) Uani 1 1 d D U . . .
C22 C 0.5258(6) 0.7069(6) 0.7655(9) 0.048(3) Uani 0.5 1 d . . P . .
C101 C 0.4015(2) 0.16170(19) 0.7911(3) 0.0314(8) Uani 0.5 1 d . . P A 1
C102 C 0.3357(3) 0.1293(3) 0.7257(3) 0.0378(10) Uani 1 1 d . . . . .
H102 H 0.333691 0.109192 0.661377 0.045 Uiso 1 1 calc R U . A 1
C103 C 0.2718(3) 0.1250(3) 0.7506(4) 0.0429(11) Uani 1 1 d . . . . .
H103 H 0.227060 0.100706 0.704497 0.052 Uiso 1 1 calc R U . . .
C104 C 0.2728(3) 0.1557(3) 0.8417(4) 0.0448(11) Uani 1 1 d . . . . .
H104 H 0.228642 0.154464 0.858572 0.054 Uiso 1 1 calc R U . . .
C105 C 0.3394(3) 0.1884(3) 0.9081(4) 0.0391(10) Uani 1 1 d . . . . .
H105 H 0.341460 0.209284 0.972017 0.047 Uiso 0.5 1 calc R U P B 2
C106 C 0.4035(3) 0.1909(2) 0.8823(3) 0.0349(10) Uani 1 1 d . . . . .
H106 H 0.449065 0.213386 0.928875 0.042 Uiso 1 1 calc R U . A 1
C107 C 0.3450(7) 0.2197(7) 0.9992(9) 0.060(3) Uani 0.5 1 d . . P C 1
N1 N 0.45999(18) 0.07542(17) 0.6558(2) 0.0257(7) Uani 1 1 d . . . . .
N2 N 0.45090(17) 0.24321(17) 0.6429(2) 0.0230(7) Uani 1 1 d . . . . .
N100 N 0.3464(7) 0.2443(7) 1.0809(10) 0.088(4) Uani 0.5 1 d . . P C 1
N101 N 0.4015(2) 0.16170(19) 0.7911(3) 0.0314(8) Uani 0.5 1 d . . P A 2
F1A F 0.1115(2) 0.1296(3) 0.0632(5) 0.0448(10) Uani 0.804(15) 1 d D U P D 1
F2A F 0.1580(4) 0.0127(2) 0.0807(4) 0.077(2) Uani 0.804(15) 1 d D U P D 1
F3A F 0.2050(3) 0.1032(6) 0.0164(4) 0.096(2) Uani 0.804(15) 1 d D U P D 1
F1B F 0.1044(7) 0.1065(13) 0.061(2) 0.0448(10) Uani 0.196(15) 1 d D U P D 2
F2B F 0.1918(14) 0.0195(10) 0.0599(19) 0.077(2) Uani 0.196(15) 1 d D U P D 2
F3B F 0.2016(16) 0.1408(15) 0.0294(18) 0.096(2) Uani 0.196(15) 1 d D U P D 2
F4 F 0.5177(3) 0.73959(19) 0.6848(4) 0.1033(14) Uani 1 1 d . . . . .
F5 F 0.5911(6) 0.7262(4) 0.8212(8) 0.117(3) Uani 0.5 1 d . . P . .
Pt1 Pt 0.500000 0.16382(2) 0.750000 0.02306(7) Uani 1 2 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0056 0.0027 'Calculated using XDISP in WinGX (Farrugia, 1999)'
H H 0.0000 0.0000 'Calculated using XDISP in WinGX (Farrugia, 1999)'
N N 0.0104 0.0054 'Calculated using XDISP in WinGX (Farrugia, 1999)'
F F 0.0277 0.0166 'Calculated using XDISP in WinGX (Farrugia, 1999)'
Pt Pt -6.4647 11.8942 'Calculated using XDISP in WinGX (Farrugia, 1999)'
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
N1 C1 C2 105.6(3) . .
N1 C1 C1 113.0(2) . 2_656
C2 C1 C1 141.3(2) . 2_656
C3 C2 C1 108.2(3) . .
C3 C2 H2 125.9 . .
C1 C2 H2 125.9 . .
C2 C3 C4 108.1(4) . .
C2 C3 H3 125.9 . .
C4 C3 H3 125.9 . .
N1 C4 C5 121.2(3) . .
N1 C4 C3 105.3(3) . .
C5 C4 C3 133.3(4) . .
C4 C5 C6 125.1(3) . .
C4 C5 C11 116.2(3) . .
C6 C5 C11 118.7(3) . .
N2 C6 C5 126.8(3) . .
N2 C6 C7 105.6(3) . .
C5 C6 C7 127.6(3) . .
C8 C7 C6 108.2(3) . .
C8 C7 H7 125.9 . .
C6 C7 H7 125.9 . .
C7 C8 C9 108.8(3) . .
C7 C8 H8 125.6 . .
C9 C8 H8 125.6 . .
N2 C9 C10 125.0(3) . .
N2 C9 C8 106.0(3) . .
C10 C9 C8 129.1(3) . .
C9 C10 C9 125.6(5) 2_656 .
C9 C10 C17 117.2(2) 2_656 .
C9 C10 C17 117.2(2) . .
C16 C11 C12 118.6(4) . .
C16 C11 C5 121.6(3) . .
C12 C11 C5 119.7(4) . .
C13 C12 C11 120.1(4) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C14 C13 C12 120.6(4) . .
C14 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
C13 C14 C15 120.0(4) . .
C13 C14 C21 118.4(4) . .
C15 C14 C21 121.6(4) . .
C14 C15 C16 119.9(4) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C11 C16 C15 120.8(4) . .
C11 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C18 C17 C18 118.7(5) 2_656 .
C18 C17 C10 120.6(3) 2_656 .
C18 C17 C10 120.6(3) . .
C17 C18 C19 120.8(4) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C20 C19 C18 119.1(5) . .
C20 C19 H19 120.5 . .
C18 C19 H19 120.5 . .
C19 C20 C19 121.6(6) . 2_656
C19 C20 C22 114.3(5) . 2_656
C19 C20 C22 121.6(6) 2_656 2_656
C19 C20 C22 121.6(6) . .
C19 C20 C22 114.3(5) 2_656 .
C22 C20 C22 33.1(7) 2_656 .
F1B C21 F2B 113.5(11) . .
F3A C21 F1A 108.9(5) . .
F1B C21 F3B 104.9(13) . .
F2B C21 F3B 103.2(11) . .
F3A C21 F2A 105.4(5) . .
F1A C21 F2A 104.3(4) . .
F3A C21 C14 114.4(5) . .
F1B C21 C14 120.0(13) . .
F2B C21 C14 110.8(10) . .
F1A C21 C14 112.6(4) . .
F3B C21 C14 102.2(12) . .
F2A C21 C14 110.6(4) . .
C22 C22 F4 79.1(14) 2_656 .
C22 C22 F5 161.3(15) 2_656 .
F4 C22 F5 102.9(10) . .
C22 C22 F4 60.2(13) 2_656 2_656
F4 C22 F4 113.2(7) . 2_656
F5 C22 F4 102.8(10) . 2_656
C22 C22 C20 73.4(3) 2_656 .
F4 C22 C20 112.4(9) . .
F5 C22 C20 121.4(7) . .
F4 C22 C20 104.0(7) 2_656 .
C106 C101 C102 118.8(4) . .
C106 C101 Pt1 121.4(3) . .
C102 C101 Pt1 119.8(3) . .
N101 C102 C103 121.5(4) . .
C101 C102 C103 121.5(4) . .
C101 C102 H102 119.3 . .
C103 C102 H102 119.3 . .
C104 C103 C102 120.2(5) . .
C104 C103 H103 119.9 . .
C102 C103 H103 119.9 . .
C103 C104 C105 118.3(5) . .
C103 C104 H104 120.8 . .
C105 C104 H104 120.8 . .
C107 C105 C104 122.0(7) . .
C107 C105 C106 117.4(7) . .
C104 C105 C106 120.5(4) . .
C104 C105 H105 119.7 . .
C106 C105 H105 119.7 . .
N101 C106 C105 120.6(4) . .
C101 C106 C105 120.6(4) . .
C101 C106 H106 119.7 . .
C105 C106 H106 119.7 . .
N100 C107 C105 175.6(14) . .
C4 N1 C1 112.7(3) . .
C4 N1 Pt1 130.5(2) . .
C1 N1 Pt1 116.8(3) . .
C9 N2 C6 111.4(3) . .
C9 N2 Pt1 125.0(2) . .
C6 N2 Pt1 123.5(2) . .
C107 N100 F5 134.6(12) . 5_667
C106 N101 C102 118.8(4) . .
C106 N101 Pt1 121.4(3) . .
C102 N101 Pt1 119.8(3) . .
C22 F4 C22 40.7(9) . 2_656
C22 F5 N100 156.2(12) . 5_667
N1 Pt1 N1 80.30(18) . 2_656
N1 Pt1 N2 172.70(12) . 2_656
N1 Pt1 N2 92.65(12) 2_656 2_656
N1 Pt1 N2 92.65(12) . .
N1 Pt1 N2 172.70(12) 2_656 .
N2 Pt1 N2 94.44(16) 2_656 .
N1 Pt1 C101 88.07(13) . 2_656
N1 Pt1 C101 90.48(13) 2_656 2_656
N2 Pt1 C101 90.09(13) 2_656 2_656
N2 Pt1 C101 91.20(13) . 2_656
N1 Pt1 C101 90.48(14) . .
N1 Pt1 C101 88.07(13) 2_656 .
N2 Pt1 C101 91.20(13) 2_656 .
N2 Pt1 C101 90.09(13) . .
C101 Pt1 C101 178.10(18) 2_656 .
N1 Pt1 N101 90.48(14) . .
N1 Pt1 N101 88.07(13) 2_656 .
N2 Pt1 N101 91.20(13) 2_656 .
N2 Pt1 N101 90.09(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.374(5) .
C1 C2 1.413(5) .
C1 C1 1.438(8) 2_656
C2 C3 1.379(6) .
C2 H2 0.9500 .
C3 C4 1.435(5) .
C3 H3 0.9500 .
C4 N1 1.350(5) .
C4 C5 1.418(5) .
C5 C6 1.420(5) .
C5 C11 1.496(5) .
C6 N2 1.384(5) .
C6 C7 1.441(5) .
C7 C8 1.362(5) .
C7 H7 0.9500 .
C8 C9 1.435(5) .
C8 H8 0.9500 .
C9 N2 1.369(4) .
C9 C10 1.419(4) .
C10 C17 1.499(7) .
C11 C16 1.377(6) .
C11 C12 1.396(6) .
C12 C13 1.382(6) .
C12 H12 0.9500 .
C13 C14 1.364(6) .
C13 H13 0.9500 .
C14 C15 1.376(6) .
C14 C21 1.503(6) .
C15 C16 1.384(6) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C17 C18 1.388(5) 2_656
C17 C18 1.388(5) .
C18 C19 1.402(6) .
C18 H18 0.9500 .
C19 C20 1.372(6) .
C19 H19 0.9500 .
C20 C22 1.601(11) 2_656
C20 C22 1.601(11) .
C21 F3A 1.306(6) .
C21 F1B 1.322(10) .
C21 F2B 1.330(9) .
C21 F1A 1.336(6) .
C21 F3B 1.363(10) .
C21 F2A 1.368(6) .
C22 C22 0.91(2) 2_656
C22 F4 1.215(12) .
C22 F5 1.241(12) .
C22 F4 1.375(12) 2_656
C101 C106 1.356(5) .
C101 C102 1.362(6) .
C101 Pt1 2.148(4) .
C102 N101 1.362(6) .
C102 C103 1.379(6) .
C102 H102 0.9500 .
C103 C104 1.371(7) .
C103 H103 0.9500 .
C104 C105 1.378(7) .
C104 H104 0.9500 .
C105 C107 1.349(13) .
C105 C106 1.390(6) .
C105 H105 0.9500 .
C106 N101 1.356(5) .
C106 H106 0.9500 .
C107 N100 1.208(15) .
N1 Pt1 1.950(3) .
N2 Pt1 1.971(3) .
N100 F5 1.529(15) 5_667
N101 Pt1 2.148(4) .
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_4
N1 C1 C2 C3 -1.0(5) . .
C1 C1 C2 C3 177.8(7) 2_656 .
C1 C2 C3 C4 0.6(5) . .
C2 C3 C4 N1 0.0(5) . .
C2 C3 C4 C5 -175.0(4) . .
N1 C4 C5 C6 3.2(6) . .
C3 C4 C5 C6 177.6(4) . .
N1 C4 C5 C11 -174.9(3) . .
C3 C4 C5 C11 -0.5(7) . .
C4 C5 C6 N2 0.7(7) . .
C11 C5 C6 N2 178.7(4) . .
C4 C5 C6 C7 177.8(4) . .
C11 C5 C6 C7 -4.2(6) . .
N2 C6 C7 C8 -0.5(4) . .
C5 C6 C7 C8 -178.1(4) . .
C6 C7 C8 C9 0.4(5) . .
C7 C8 C9 N2 -0.1(4) . .
C7 C8 C9 C10 -179.7(3) . .
N2 C9 C10 C9 -1.0(3) . 2_656
C8 C9 C10 C9 178.4(5) . 2_656
N2 C9 C10 C17 179.0(3) . .
C8 C9 C10 C17 -1.6(5) . .
C4 C5 C11 C16 114.7(4) . .
C6 C5 C11 C16 -63.6(5) . .
C4 C5 C11 C12 -61.7(5) . .
C6 C5 C11 C12 120.0(4) . .
C16 C11 C12 C13 -0.9(6) . .
C5 C11 C12 C13 175.6(4) . .
C11 C12 C13 C14 0.1(7) . .
C12 C13 C14 C15 0.1(7) . .
C12 C13 C14 C21 -177.0(4) . .
C13 C14 C15 C16 0.4(7) . .
C21 C14 C15 C16 177.4(4) . .
C12 C11 C16 C15 1.4(6) . .
C5 C11 C16 C15 -175.1(4) . .
C14 C15 C16 C11 -1.1(6) . .
C9 C10 C17 C18 124.8(3) 2_656 2_656
C9 C10 C17 C18 -55.2(3) . 2_656
C9 C10 C17 C18 -55.2(3) 2_656 .
C9 C10 C17 C18 124.8(3) . .
C18 C17 C18 C19 0.1(4) 2_656 .
C10 C17 C18 C19 -179.9(4) . .
C17 C18 C19 C20 -0.3(7) . .
C18 C19 C20 C19 0.1(4) . 2_656
C18 C19 C20 C22 162.4(6) . 2_656
C18 C19 C20 C22 -160.8(5) . .
C13 C14 C21 F3A -42.0(8) . .
C15 C14 C21 F3A 140.9(6) . .
C13 C14 C21 F1B 175.0(13) . .
C15 C14 C21 F1B -2.1(13) . .
C13 C14 C21 F2B 39.6(16) . .
C15 C14 C21 F2B -137.4(16) . .
C13 C14 C21 F1A -167.0(5) . .
C15 C14 C21 F1A 15.9(7) . .
C13 C14 C21 F3B -69.7(14) . .
C15 C14 C21 F3B 113.2(14) . .
C13 C14 C21 F2A 76.8(6) . .
C15 C14 C21 F2A -100.3(6) . .
C19 C20 C22 C22 -86.6(16) . 2_656
C19 C20 C22 C22 111.2(15) 2_656 2_656
C19 C20 C22 F4 -156.9(7) . .
C19 C20 C22 F4 40.9(9) 2_656 .
C22 C20 C22 F4 -70.3(14) 2_656 .
C19 C20 C22 F5 80.8(13) . .
C19 C20 C22 F5 -81.4(12) 2_656 .
C22 C20 C22 F5 167(3) 2_656 .
C19 C20 C22 F4 -34.0(8) . 2_656
C19 C20 C22 F4 163.7(5) 2_656 2_656
C22 C20 C22 F4 52.5(13) 2_656 2_656
C106 C101 C102 C103 -0.7(6) . .
Pt1 C101 C102 C103 178.3(3) . .
N101 C102 C103 C104 1.9(7) . .
C101 C102 C103 C104 1.9(7) . .
C102 C103 C104 C105 -1.9(7) . .
C103 C104 C105 C107 -179.9(7) . .
C103 C104 C105 C106 0.9(6) . .
C102 C101 C106 C105 -0.4(6) . .
Pt1 C101 C106 C105 -179.3(3) . .
C104 C105 C106 N101 0.3(6) . .
C107 C105 C106 C101 -178.9(6) . .
C104 C105 C106 C101 0.3(6) . .
C5 C4 N1 C1 175.1(4) . .
C3 C4 N1 C1 -0.7(5) . .
C5 C4 N1 Pt1 -3.0(6) . .
C3 C4 N1 Pt1 -178.7(3) . .
C2 C1 N1 C4 1.0(5) . .
C1 C1 N1 C4 -178.1(4) 2_656 .
C2 C1 N1 Pt1 179.4(3) . .
C1 C1 N1 Pt1 0.2(5) 2_656 .
C10 C9 N2 C6 179.4(3) . .
C8 C9 N2 C6 -0.2(4) . .
C10 C9 N2 Pt1 1.8(5) . .
C8 C9 N2 Pt1 -177.7(3) . .
C5 C6 N2 C9 178.0(4) . .
C7 C6 N2 C9 0.4(4) . .
C5 C6 N2 Pt1 -4.4(6) . .
C7 C6 N2 Pt1 178.0(2) . .
C105 C106 N101 C102 -0.4(6) . .
C105 C106 N101 Pt1 -179.3(3) . .
C103 C102 N101 C106 -0.7(6) . .
C103 C102 N101 Pt1 178.3(3) . .
F5 C22 F4 C22 -160.9(13) . 2_656
F4 C22 F4 C22 -50.7(9) 2_656 2_656
C20 C22 F4 C22 66.8(7) . 2_656
C22 C22 F5 N100 40(7) 2_656 5_667
F4 C22 F5 N100 134(2) . 5_667
F4 C22 F5 N100 16(2) 2_656 5_667
C20 C22 F5 N100 -99(2) . 5_667
