# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_4
_database_code_depnum_ccdc_archive 'CCDC 2033931'
loop_
_audit_author_name
_audit_author_address
'Francisco Jose Fernandez de Cordova Martin'
;Instituto de Investigaciones Quimicas (CSIC US)
Spain
;
_audit_update_record             
;
2020-09-25 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
_audit_creation_date             2020-09-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H48 B N4 O2 Pt, C32 H12 B F24'
_chemical_formula_sum            'C58 H60 B2 F24 N4 O2 Pt'
_chemical_formula_weight         1517.81
_chemical_melting_point          ?
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'
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'
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'
Pt Pt -0.6812 5.7081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   13.9627(11)
_cell_length_b                   24.4797(19)
_cell_length_c                   20.1924(16)
_cell_angle_alpha                90
_cell_angle_beta                 109.711(4)
_cell_angle_gamma                90
_cell_volume                     6497.4(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9786
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      21.959
_cell_measurement_theta_min      2.322
_shelx_estimated_absorpt_T_max   0.708
_shelx_estimated_absorpt_T_min   0.637
_exptl_absorpt_coefficient_mu    1.239
_exptl_absorpt_correction_T_max  0.7448
_exptl_absorpt_correction_T_min  0.6170
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1001 before and 0.0641 after correction.
The Ratio of minimum to maximum transmission is 0.8284.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.3
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            134022
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         22.540
_diffrn_reflns_theta_min         1.814
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_source                   ?
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13211
_reflns_number_total             17211
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.18C (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_refine_diff_density_max         1.536
_refine_diff_density_min         -1.106
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1092
_refine_ls_number_reflns         17211
_refine_ls_number_restraints     960
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0245P)²+11.4852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0813
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C21A-C23A \\sim C21A-C24A \\sim C21B-C23B \\sim C21B-C24B
 with sigma of 0.02
 C22A-C25A \\sim C22A-C26A \\sim C22B-C25B \\sim C22B-C26B
 with sigma of 0.02
 C23A-C24A \\sim C23B-C24B \\sim C25A-C26A \\sim C25B-C26B
 with sigma of 0.04
 C33-F1A \\sim C33-F2A \\sim C33-F3A \\sim C33-F1B \\sim C33-F2B \\sim C33-F3B
 with sigma of 0.02
 F1A-F2A \\sim F1A-F3A \\sim F2A-F3A \\sim F1B-F2B \\sim F1B-F3B \\sim F2B-F3B
 with sigma of 0.02
 C34-F4A \\sim C34-F5A \\sim C34-F6A \\sim C34-F4B \\sim C34-F5B \\sim C34-F6B
 with sigma of 0.02
 F4A-F5A \\sim F4A-F6A \\sim F5A-F6A \\sim F4B-F5B \\sim F4B-F6B \\sim F5B-F6B
 with sigma of 0.02
 C42-F10A \\sim C42-F11A \\sim C42-F12A \\sim C42-F10B \\sim C42-F11B \\sim
C42-F12B
 with sigma of 0.02
 F10A-F11A \\sim F10A-F12A \\sim F11A-F12A \\sim F10B-F11B \\sim F10B-F12B
\\sim F11B-F12B
 with sigma of 0.02
 C49-F13A \\sim C49-F14A \\sim C49-F15A \\sim C49-F13B \\sim C49-F14B \\sim
C49-F15B
 with sigma of 0.02
 F13A-F14A \\sim F13A-F15A \\sim F14A-F15A \\sim F13B-F14B \\sim F13B-F15B
\\sim F14B-F15B
 with sigma of 0.02
 C50-F16A \\sim C50-F17A \\sim C50-F18A \\sim C50-F16B \\sim C50-F17B \\sim
C50-F18B
 with sigma of 0.02
 F16A-F17A \\sim F16A-F18A \\sim F17A-F18A \\sim F16B-F17B \\sim F16B-F18B
\\sim F17B-F18B
 with sigma of 0.02
 C57-F19A \\sim C57-F20A \\sim C57-F21A \\sim C57-F19B \\sim C57-F20B \\sim
C57-F21B
 with sigma of 0.02
 F19A-F20A \\sim F19A-F21A \\sim F20A-F21A \\sim F19B-F20B \\sim F19B-F21B
\\sim F20B-F21B
 with sigma of 0.02
 C58-F22A \\sim C58-F23A \\sim C58-F24A \\sim C58-F22B \\sim C58-F23B \\sim
C58-F24B
 with sigma of 0.02
 F22A-F23A \\sim F22A-F24A \\sim F23A-F24A \\sim F22B-F23B \\sim F22B-F24B
\\sim F23B-F24B
 with sigma of 0.02
3. Rigid bond restraints
 C21A, C23A, C24A, C21B, C23B, C24B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C22A, C25A, C26A, C22B, C25B, C26B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C33, F1A, F2A, F3A, F1B, F2B, F3B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C34, F4A, F5A, F6A, F4B, F5B, F6B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C42, F10A, F11A, F12A, F10B, F11B, F12B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C49, F13A, F14A, F15A, F13B, F14B, F15B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C50, F16A, F17A, F18A, F16B, F17B, F18B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C57, F19A, F20A, F21A, F19B, F20B, F21B
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C58, F22A, F23A, F24A, F22B, F23B, F24B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C21A \\sim C23A \\sim C24A \\sim C21B \\sim C23B \\sim C24B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C22A \\sim C25A \\sim C26A \\sim C22B \\sim C25B \\sim C26B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C33 \\sim F1A \\sim F2A \\sim F3A \\sim F1B \\sim F2B \\sim F3B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C34 \\sim F4A \\sim F5A \\sim F6A \\sim F4B \\sim F5B \\sim F6B: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C42 \\sim F10A \\sim F11A \\sim F12A \\sim F10B \\sim F11B \\sim F12B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C49 \\sim F13A \\sim F14A \\sim F15A \\sim F13B \\sim F14B \\sim F15B: within
2A with sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
C50 \\sim F16A \\sim F17A \\sim F18A \\sim F16B \\sim F17B \\sim F18B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C57 \\sim F19A \\sim F20A \\sim F21A \\sim F19B \\sim F20B \\sim F21B: within
2A with sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
C58 \\sim F22A \\sim F23A \\sim F24A \\sim F22B \\sim F23B \\sim F24B: within
2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
5. Others
 Sof(C21B)=Sof(C22B)=Sof(C23B)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24B)=
 Sof(H24D)=Sof(H24E)=Sof(H24F)=Sof(C25B)=Sof(H25D)=Sof(H25E)=Sof(H25F)=
 Sof(C26B)=Sof(H26D)=Sof(H26E)=Sof(H26F)=1-FVAR(1)
 Sof(C21A)=Sof(C22A)=Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24A)=
 Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=Sof(H25C)=
 Sof(C26A)=Sof(H26A)=Sof(H26B)=Sof(H26C)=FVAR(1)
 Sof(F1B)=Sof(F2B)=Sof(F3B)=1-FVAR(2)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=FVAR(2)
 Sof(F4B)=Sof(F5B)=Sof(F6B)=1-FVAR(3)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=FVAR(3)
 Sof(F10B)=Sof(F11B)=Sof(F12B)=1-FVAR(4)
 Sof(F10A)=Sof(F11A)=Sof(F12A)=FVAR(4)
 Sof(F13B)=Sof(F14B)=Sof(F15B)=1-FVAR(5)
 Sof(F13A)=Sof(F14A)=Sof(F15A)=FVAR(5)
 Sof(F16B)=Sof(F17B)=Sof(F18B)=1-FVAR(6)
 Sof(F16A)=Sof(F17A)=Sof(F18A)=FVAR(6)
 Sof(F19B)=Sof(F20B)=Sof(F21B)=1-FVAR(7)
 Sof(F19A)=Sof(F20A)=Sof(F21A)=FVAR(7)
 Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(8)
 Sof(F22B)=Sof(F23B)=Sof(F24B)=FVAR(8)
6.a Ternary CH refined with riding coordinates:
 C4(H4), C14(H14)
6.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C12(H12), C13(H13), C28(H28), C30(H30), C32(H32), C36(H36),
 C38(H38), C40(H40), C44(H44), C46(H46), C48(H48), C52(H52), C54(H54), C56(H56)
6.d Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C23A(H23A,H23B,H23C), C24A(H24A,H24B,H24C), C25A(H25A,
 H25B,H25C), C26A(H26A,H26B,H26C), C23B(H23D,H23E,H23F), C24B(H24D,H24E,H24F),
 C25B(H25D,H25E,H25F), C26B(H26D,H26E,H26F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Pt01 Pt 1.00162(2) 0.51385(2) 0.21578(2) 0.02336(4) Uani 1 1 d . . . . .
H H 1.077(3) 0.4887(17) 0.200(2) 0.061(13) Uiso 1 1 d . . . . .
B1 B 0.9040(3) 0.60367(16) 0.2785(2) 0.0317(8) Uani 1 1 d . . . . .
B2 B 0.4749(2) 0.75293(13) 0.31643(16) 0.0173(6) Uani 1 1 d . . . . .
O1 O 0.87834(16) 0.55231(9) 0.24846(12) 0.0293(5) Uani 1 1 d . . . . .
O2 O 0.8461(2) 0.61886(11) 0.31677(16) 0.0471(7) Uani 1 1 d . . . . .
N1 N 0.8728(2) 0.43605(12) 0.10762(14) 0.0291(6) Uani 1 1 d . . . . .
N2 N 0.8699(2) 0.51348(12) 0.05640(14) 0.0298(6) Uani 1 1 d . . . . .
N3 N 1.1264(2) 0.57917(12) 0.35066(15) 0.0333(7) Uani 1 1 d . . . . .
N4 N 1.1602(2) 0.49321(13) 0.35521(18) 0.0421(8) Uani 1 1 d . . . . .
C1 C 0.9084(2) 0.48838(14) 0.11993(16) 0.0248(6) Uani 1 1 d . . . . .
C2 C 0.8125(3) 0.42944(17) 0.03814(18) 0.0404(9) Uani 1 1 d . . . . .
H2 H 0.778942 0.396939 0.016773 0.048 Uiso 1 1 calc R U . . .
C3 C 0.8106(3) 0.47767(16) 0.00690(19) 0.0409(9) Uani 1 1 d . . . . .
H3 H 0.774721 0.485837 -0.041080 0.049 Uiso 1 1 calc R U . . .
C4 C 0.9009(3) 0.39144(15) 0.16017(19) 0.0361(8) Uani 1 1 d . . . . .
H4 H 0.921602 0.408484 0.207944 0.043 Uiso 1 1 calc R U . . .
C5 C 0.8112(3) 0.35460(19) 0.1528(2) 0.0568(12) Uani 1 1 d . . . . .
H5A H 0.753610 0.376573 0.154876 0.085 Uiso 1 1 calc R U . . .
H5B H 0.829617 0.327852 0.191159 0.085 Uiso 1 1 calc R U . . .
H5C H 0.792118 0.335450 0.107577 0.085 Uiso 1 1 calc R U . . .
C6 C 0.9924(4) 0.35981(19) 0.1547(3) 0.0592(12) Uani 1 1 d . . . . .
H6A H 0.974877 0.343492 0.107795 0.089 Uiso 1 1 calc R U . . .
H6B H 1.011015 0.330894 0.190348 0.089 Uiso 1 1 calc R U . . .
H6C H 1.050059 0.384783 0.162480 0.089 Uiso 1 1 calc R U . . .
C7 C 0.8849(3) 0.57238(16) 0.04153(19) 0.0371(8) Uani 1 1 d . . . . .
C8 C 0.8419(4) 0.58222(19) -0.0383(2) 0.0579(12) Uani 1 1 d . . . . .
H8A H 0.874567 0.557237 -0.062037 0.087 Uiso 1 1 calc R U . . .
H8B H 0.855263 0.620039 -0.048469 0.087 Uiso 1 1 calc R U . . .
H8C H 0.768324 0.575658 -0.055205 0.087 Uiso 1 1 calc R U . . .
C9 C 0.8271(3) 0.60739(17) 0.0777(2) 0.0448(9) Uani 1 1 d . . . . .
H9A H 0.838970 0.646101 0.070792 0.067 Uiso 1 1 calc R U . . .
H9B H 0.850972 0.599133 0.128163 0.067 Uiso 1 1 calc R U . . .
H9C H 0.754198 0.599484 0.057505 0.067 Uiso 1 1 calc R U . . .
C10 C 0.9975(3) 0.58566(18) 0.0679(3) 0.0542(11) Uani 1 1 d . . . . .
H10A H 1.031976 0.563786 0.042099 0.081 Uiso 1 1 calc R U . . .
H10B H 1.026223 0.577234 0.118226 0.081 Uiso 1 1 calc R U . . .
H10C H 1.007015 0.624565 0.060526 0.081 Uiso 1 1 calc R U . . .
C11 C 1.1019(2) 0.53181(14) 0.31248(18) 0.0292(7) Uani 1 1 d . . . . .
C12 C 1.2019(3) 0.56907(18) 0.4149(2) 0.0518(11) Uani 1 1 d . . . . .
H12 H 1.233003 0.595360 0.450185 0.062 Uiso 1 1 calc R U . . .
C13 C 1.2226(3) 0.51635(19) 0.4179(2) 0.0571(12) Uani 1 1 d . . . . .
H13 H 1.271065 0.497667 0.455772 0.068 Uiso 1 1 calc R U . . .
C14 C 1.1619(3) 0.43454(16) 0.3375(2) 0.0486(11) Uani 1 1 d . . . . .
H14 H 1.101307 0.427054 0.294872 0.058 Uiso 1 1 calc R U . . .
C15 C 1.1538(4) 0.3985(2) 0.3974(3) 0.0655(14) Uani 1 1 d . . . . .
H15A H 1.093381 0.409047 0.408803 0.098 Uiso 1 1 calc R U . . .
H15B H 1.214630 0.403352 0.439015 0.098 Uiso 1 1 calc R U . . .
H15C H 1.148003 0.360160 0.382756 0.098 Uiso 1 1 calc R U . . .
C16 C 1.2561(4) 0.42312(19) 0.3189(3) 0.0667(14) Uani 1 1 d . . . . .
H16A H 1.254090 0.385422 0.302175 0.100 Uiso 1 1 calc R U . . .
H16B H 1.316692 0.428233 0.360671 0.100 Uiso 1 1 calc R U . . .
H16C H 1.258756 0.448312 0.281842 0.100 Uiso 1 1 calc R U . . .
C17 C 1.0934(3) 0.63595(14) 0.3286(2) 0.0339(8) Uani 1 1 d . . . . .
C18 C 1.1762(3) 0.66209(18) 0.3059(3) 0.0542(12) Uani 1 1 d . . . . .
H18A H 1.180341 0.643295 0.264102 0.081 Uiso 1 1 calc R U . . .
H18B H 1.241671 0.659116 0.344128 0.081 Uiso 1 1 calc R U . . .
H18C H 1.159991 0.700705 0.294878 0.081 Uiso 1 1 calc R U . . .
C19 C 1.0800(3) 0.66686(19) 0.3910(2) 0.0544(12) Uani 1 1 d . . . . .
H19A H 1.056507 0.704111 0.376407 0.082 Uiso 1 1 calc R U . . .
H19B H 1.145191 0.668267 0.429650 0.082 Uiso 1 1 calc R U . . .
H19C H 1.029639 0.647946 0.406734 0.082 Uiso 1 1 calc R U . . .
C20 C 0.9920(3) 0.63718(14) 0.26631(19) 0.0336(8) Uani 1 1 d . . . . .
H20A H 1.004091 0.622739 0.224006 0.040 Uiso 1 1 calc R U . . .
H20B H 0.969819 0.675646 0.256612 0.040 Uiso 1 1 calc R U . . .
C21A C 0.8056(6) 0.5263(3) 0.2789(4) 0.0355(13) Uani 0.741(5) 1 d D U P A 1
C22A C 0.7627(5) 0.5774(4) 0.3056(4) 0.0502(17) Uani 0.741(5) 1 d D U P A 1
C23A C 0.7299(4) 0.4930(3) 0.2233(4) 0.0558(16) Uani 0.741(5) 1 d D U P A 1
H23A H 0.701289 0.515079 0.180685 0.084 Uiso 0.741(5) 1 calc R U P A 1
H23B H 0.675177 0.481257 0.240253 0.084 Uiso 0.741(5) 1 calc R U P A 1
H23C H 0.763703 0.460781 0.212483 0.084 Uiso 0.741(5) 1 calc R U P A 1
C24A C 0.8713(5) 0.4903(2) 0.3387(4) 0.0562(16) Uani 0.741(5) 1 d D U P A 1
H24A H 0.829320 0.475049 0.364516 0.084 Uiso 0.741(5) 1 calc R U P A 1
H24B H 0.926230 0.512222 0.370670 0.084 Uiso 0.741(5) 1 calc R U P A 1
H24C H 0.900442 0.460456 0.319258 0.084 Uiso 0.741(5) 1 calc R U P A 1
C25A C 0.6686(4) 0.5998(3) 0.2487(4) 0.071(2) Uani 0.741(5) 1 d D U P A 1
H25A H 0.683168 0.604480 0.204837 0.106 Uiso 0.741(5) 1 calc R U P A 1
H25B H 0.650253 0.635210 0.263751 0.106 Uiso 0.741(5) 1 calc R U P A 1
H25C H 0.611985 0.574203 0.241025 0.106 Uiso 0.741(5) 1 calc R U P A 1
C26A C 0.7450(6) 0.5708(3) 0.3749(4) 0.071(2) Uani 0.741(5) 1 d D U P A 1
H26A H 0.718216 0.604945 0.386962 0.107 Uiso 0.741(5) 1 calc R U P A 1
H26B H 0.809437 0.561747 0.411781 0.107 Uiso 0.741(5) 1 calc R U P A 1
H26C H 0.695911 0.541295 0.370986 0.107 Uiso 0.741(5) 1 calc R U P A 1
C21B C 0.790(2) 0.5363(8) 0.2670(17) 0.052(4) Uani 0.259(5) 1 d D U P A 2
C22B C 0.7944(16) 0.5703(13) 0.3276(12) 0.058(4) Uani 0.259(5) 1 d D U P A 2
C23B C 0.7013(12) 0.5497(7) 0.2023(10) 0.061(4) Uani 0.259(5) 1 d D U P A 2
H23D H 0.716711 0.538612 0.160383 0.091 Uiso 0.259(5) 1 calc R U P A 2
H23E H 0.688384 0.589104 0.200620 0.091 Uiso 0.259(5) 1 calc R U P A 2
H23F H 0.640925 0.530070 0.203864 0.091 Uiso 0.259(5) 1 calc R U P A 2
C24B C 0.7986(13) 0.4758(6) 0.2803(10) 0.052(3) Uani 0.259(5) 1 d D U P A 2
H24D H 0.839803 0.459413 0.254716 0.078 Uiso 0.259(5) 1 calc R U P A 2
H24E H 0.730502 0.459493 0.264135 0.078 Uiso 0.259(5) 1 calc R U P A 2
H24F H 0.830942 0.469067 0.330822 0.078 Uiso 0.259(5) 1 calc R U P A 2
C25B C 0.6941(13) 0.5947(8) 0.3280(14) 0.071(4) Uani 0.259(5) 1 d D U P A 2
H25D H 0.665016 0.617610 0.286162 0.106 Uiso 0.259(5) 1 calc R U P A 2
H25E H 0.706266 0.617030 0.370345 0.106 Uiso 0.259(5) 1 calc R U P A 2
H25F H 0.646442 0.565243 0.327705 0.106 Uiso 0.259(5) 1 calc R U P A 2
C26B C 0.8575(16) 0.5502(9) 0.4010(10) 0.078(5) Uani 0.259(5) 1 d D U P A 2
H26D H 0.834333 0.513754 0.408679 0.117 Uiso 0.259(5) 1 calc R U P A 2
H26E H 0.849305 0.575494 0.436337 0.117 Uiso 0.259(5) 1 calc R U P A 2
H26F H 0.929396 0.548599 0.405016 0.117 Uiso 0.259(5) 1 calc R U P A 2
C27 C 0.5928(2) 0.75548(11) 0.31887(15) 0.0198(6) Uani 1 1 d . . . . .
C28 C 0.6743(2) 0.75296(12) 0.38267(16) 0.0236(6) Uani 1 1 d . . . . .
H28 H 0.660798 0.754387 0.425698 0.028 Uiso 1 1 calc R U . . .
C29 C 0.7745(2) 0.74841(13) 0.38442(18) 0.0273(7) Uani 1 1 d . . . . .
C30 C 0.7977(2) 0.74766(14) 0.32354(19) 0.0325(8) Uani 1 1 d . . . . .
H30 H 0.866348 0.745052 0.325160 0.039 Uiso 1 1 calc R U . . .
C31 C 0.7192(3) 0.75077(13) 0.25987(18) 0.0289(7) Uani 1 1 d . . . . .
C32 C 0.6186(2) 0.75386(12) 0.25779(16) 0.0230(6) Uani 1 1 d . . . . .
H32 H 0.565799 0.754904 0.213369 0.028 Uiso 1 1 calc R U . . .
C33 C 0.8583(3) 0.74106(15) 0.4542(2) 0.0395(9) Uani 1 1 d D U . . .
C34 C 0.7412(3) 0.74828(16) 0.1927(2) 0.0445(9) Uani 1 1 d D U . . .
C35 C 0.3989(2) 0.78794(12) 0.25079(14) 0.0183(6) Uani 1 1 d . . . . .
C36 C 0.4312(2) 0.83361(12) 0.22272(15) 0.0208(6) Uani 1 1 d . . . . .
H36 H 0.500946 0.843682 0.240962 0.025 Uiso 1 1 calc R U . . .
C37 C 0.3653(2) 0.86498(12) 0.16901(15) 0.0236(6) Uani 1 1 d . . . . .
C38 C 0.2633(2) 0.85223(13) 0.14160(16) 0.0279(7) Uani 1 1 d . . . . .
H38 H 0.218199 0.873368 0.104722 0.033 Uiso 1 1 calc R U . . .
C39 C 0.2284(2) 0.80782(14) 0.16924(16) 0.0272(7) Uani 1 1 d . . . . .
C40 C 0.2946(2) 0.77674(13) 0.22284(15) 0.0218(6) Uani 1 1 d . . . . .
H40 H 0.268111 0.746814 0.241184 0.026 Uiso 1 1 calc R U . . .
C41 C 0.4082(3) 0.91205(15) 0.14097(18) 0.0350(8) Uani 1 1 d . . . . .
C42 C 0.1181(3) 0.79344(18) 0.1410(2) 0.0461(10) Uani 1 1 d D U . . .
C43 C 0.4615(2) 0.78104(11) 0.38666(14) 0.0173(5) Uani 1 1 d . . . . .
C44 C 0.4961(2) 0.83460(12) 0.40532(16) 0.0241(6) Uani 1 1 d . . . . .
H44 H 0.530989 0.852945 0.378778 0.029 Uiso 1 1 calc R U . . .
C45 C 0.4808(2) 0.86146(13) 0.46129(17) 0.0281(7) Uani 1 1 d . . . . .
C46 C 0.4333(2) 0.83597(13) 0.50301(17) 0.0287(7) Uani 1 1 d . . . . .
H46 H 0.425219 0.854148 0.542362 0.034 Uiso 1 1 calc R U . . .
C47 C 0.3979(2) 0.78333(12) 0.48579(15) 0.0223(6) Uani 1 1 d . . . . .
C48 C 0.4100(2) 0.75689(12) 0.42770(15) 0.0194(6) Uani 1 1 d . . . . .
H48 H 0.382280 0.721334 0.415728 0.023 Uiso 1 1 calc R U . . .
C49 C 0.5111(3) 0.92006(15) 0.4766(2) 0.0453(9) Uani 1 1 d D U . . .
C50 C 0.3447(3) 0.75551(15) 0.52875(18) 0.0366(8) Uani 1 1 d D U . . .
C51 C 0.4496(2) 0.68712(12) 0.31048(14) 0.0173(5) Uani 1 1 d . . . . .
C52 C 0.4012(2) 0.66058(12) 0.24648(15) 0.0189(6) Uani 1 1 d . . . . .
H52 H 0.378800 0.681521 0.204424 0.023 Uiso 1 1 calc R U . . .
C53 C 0.3850(2) 0.60418(12) 0.24269(15) 0.0218(6) Uani 1 1 d . . . . .
C54 C 0.4159(2) 0.57192(12) 0.30239(16) 0.0224(6) Uani 1 1 d . . . . .
H54 H 0.403357 0.533708 0.299845 0.027 Uiso 1 1 calc R U . . .
C55 C 0.4659(2) 0.59733(12) 0.36611(15) 0.0205(6) Uani 1 1 d . . . . .
C56 C 0.4840(2) 0.65324(12) 0.36962(15) 0.0186(6) Uani 1 1 d . . . . .
H56 H 0.521118 0.669048 0.413812 0.022 Uiso 1 1 calc R U . . .
C57 C 0.3339(3) 0.57848(14) 0.17272(17) 0.0369(8) Uani 1 1 d D U . . .
C58 C 0.4994(3) 0.56491(13) 0.43264(16) 0.0285(7) Uani 1 1 d D U . . .
F1A F 0.8361(2) 0.76185(15) 0.50768(14) 0.0744(11) Uani 0.954(4) 1 d D U P B 1
F2A F 0.8789(2) 0.68891(10) 0.46917(14) 0.0592(9) Uani 0.954(4) 1 d D U P B 1
F3A F 0.94449(19) 0.76378(15) 0.45529(16) 0.0764(11) Uani 0.954(4) 1 d D U P B
1
F1B F 0.835(3) 0.7175(19) 0.5052(19) 0.058(6) Uani 0.046(4) 1 d D U P B 2
F2B F 0.937(2) 0.7145(17) 0.448(2) 0.055(6) Uani 0.046(4) 1 d D U P B 2
F3B F 0.892(3) 0.7905(8) 0.477(2) 0.055(6) Uani 0.046(4) 1 d D U P B 2
F4A F 0.7436(5) 0.69841(14) 0.1703(3) 0.0726(16) Uani 0.830(10) 1 d D U P C 1
F5A F 0.8340(2) 0.7696(2) 0.2006(2) 0.0657(14) Uani 0.830(10) 1 d D U P C 1
F6A F 0.6765(3) 0.7771(2) 0.1412(3) 0.0581(12) Uani 0.830(10) 1 d D U P C 1
F4B F 0.8296(10) 0.7347(11) 0.1892(11) 0.075(4) Uani 0.170(10) 1 d D U P C 2
F5B F 0.7083(19) 0.7905(7) 0.1481(14) 0.066(5) Uani 0.170(10) 1 d D U P C 2
F6B F 0.6805(16) 0.7078(8) 0.1460(9) 0.062(4) Uani 0.170(10) 1 d D U P C 2
F7 F 0.48621(19) 0.89756(10) 0.12191(13) 0.0540(6) Uani 1 1 d . . . . .
F8 F 0.4421(2) 0.95197(9) 0.18868(13) 0.0603(7) Uani 1 1 d . . . . .
F9 F 0.34115(19) 0.93530(10) 0.08482(12) 0.0569(7) Uani 1 1 d . . . . .
F10A F 0.0631(6) 0.8213(3) 0.0871(4) 0.090(3) Uani 0.606(10) 1 d D U P D 1
F11A F 0.0729(4) 0.7924(5) 0.1881(3) 0.088(3) Uani 0.606(10) 1 d D U P D 1
F12A F 0.1053(4) 0.7403(2) 0.1167(5) 0.080(2) Uani 0.606(10) 1 d D U P D 1
F10B F 0.0657(5) 0.8333(5) 0.1636(6) 0.085(3) Uani 0.394(10) 1 d D U P D 2
F11B F 0.0932(6) 0.7496(4) 0.1628(7) 0.087(4) Uani 0.394(10) 1 d D U P D 2
F12B F 0.0833(9) 0.7983(6) 0.0742(4) 0.084(3) Uani 0.394(10) 1 d D U P D 2
F13A F 0.5674(7) 0.9271(3) 0.5461(3) 0.0626(16) Uani 0.66(2) 1 d D U P E 1
F14A F 0.5690(7) 0.9391(4) 0.4423(5) 0.0606(17) Uani 0.66(2) 1 d D U P E 1
F15A F 0.4319(4) 0.9528(3) 0.4645(6) 0.0643(18) Uani 0.66(2) 1 d D U P E 1
F13B F 0.5269(15) 0.9358(6) 0.5408(6) 0.059(2) Uani 0.34(2) 1 d D U P E 2
F14B F 0.5926(9) 0.9323(9) 0.4594(9) 0.054(2) Uani 0.34(2) 1 d D U P E 2
F15B F 0.4371(9) 0.9521(5) 0.4339(9) 0.067(3) Uani 0.34(2) 1 d D U P E 2
F16A F 0.3906(3) 0.76109(15) 0.59698(12) 0.0644(10) Uani 0.909(5) 1 d D U P F 1
F17A F 0.3312(3) 0.70192(11) 0.51639(15) 0.0526(9) Uani 0.909(5) 1 d D U P F 1
F18A F 0.2498(3) 0.77436(16) 0.5154(2) 0.0799(13) Uani 0.909(5) 1 d D U P F 1
F16B F 0.4172(15) 0.7292(11) 0.5786(13) 0.059(5) Uani 0.091(5) 1 d D U P F 2
F17B F 0.2756(18) 0.7234(11) 0.4947(12) 0.057(5) Uani 0.091(5) 1 d D U P F 2
F18B F 0.309(2) 0.7929(8) 0.5613(14) 0.054(5) Uani 0.091(5) 1 d D U P F 2
F19A F 0.3916(3) 0.5759(2) 0.13349(18) 0.0702(12) Uani 0.777(5) 1 d D U P G 1
F20A F 0.2531(4) 0.60712(16) 0.1333(2) 0.0845(15) Uani 0.777(5) 1 d D U P G 1
F21A F 0.2995(4) 0.52878(14) 0.17526(17) 0.0673(13) Uani 0.777(5) 1 d D U P G 1
F19B F 0.3198(11) 0.6092(4) 0.1196(5) 0.055(2) Uani 0.223(5) 1 d D U P G 2
F20B F 0.2495(8) 0.5564(6) 0.1702(6) 0.061(2) Uani 0.223(5) 1 d D U P G 2
F21B F 0.3899(9) 0.5366(5) 0.1626(6) 0.070(3) Uani 0.223(5) 1 d D U P G 2
F22B F 0.5989(5) 0.5625(6) 0.4634(7) 0.055(2) Uani 0.64(3) 1 d D U P H 1
F23B F 0.4660(8) 0.5131(2) 0.4216(4) 0.0363(16) Uani 0.64(3) 1 d D U P H 1
F24B F 0.4640(11) 0.5851(5) 0.4810(6) 0.048(2) Uani 0.64(3) 1 d D U P H 1
F22A F 0.5955(9) 0.5799(9) 0.4717(12) 0.056(4) Uani 0.36(3) 1 d D U P H 2
F23A F 0.505(2) 0.5116(4) 0.4271(9) 0.056(3) Uani 0.36(3) 1 d D U P H 2
F24A F 0.4448(12) 0.5764(9) 0.4733(9) 0.032(3) Uani 0.36(3) 1 d D U P H 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Pt01 H 1.34(4) . ?
Pt01 O1 2.248(2) . ?
Pt01 C1 2.032(3) . ?
Pt01 C11 2.030(3) . ?
B1 O1 1.389(5) . ?
B1 O2 1.346(5) . ?
B1 C20 1.565(5) . ?
B2 C27 1.632(4) . ?
B2 C35 1.634(4) . ?
B2 C43 1.642(4) . ?
B2 C51 1.645(4) . ?
O1 C21A 1.495(10) . ?
O1 C21B 1.46(4) . ?
O2 C22A 1.502(9) . ?
O2 C22B 1.45(3) . ?
N1 C1 1.366(4) . ?
N1 C2 1.381(4) . ?
N1 C4 1.480(4) . ?
N2 C1 1.359(4) . ?
N2 C3 1.376(4) . ?
N2 C7 1.502(5) . ?
N3 C11 1.370(4) . ?
N3 C12 1.390(5) . ?
N3 C17 1.485(5) . ?
N4 C11 1.352(4) . ?
N4 C13 1.392(5) . ?
N4 C14 1.482(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.335(5) . ?
C3 H3 0.9500 . ?
C4 H4 1.0000 . ?
C4 C5 1.510(5) . ?
C4 C6 1.530(6) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.537(5) . ?
C7 C9 1.523(5) . ?
C7 C10 1.515(6) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C13 1.319(6) . ?
C13 H13 0.9500 . ?
C14 H14 1.0000 . ?
C14 C15 1.532(6) . ?
C14 C16 1.511(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.521(5) . ?
C17 C19 1.535(5) . ?
C17 C20 1.545(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21A C22A 1.561(11) . ?
C21A C23A 1.497(8) . ?
C21A C24A 1.526(8) . ?
C22A C25A 1.525(8) . ?
C22A C26A 1.511(8) . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C26A H26A 0.9800 . ?
C26A H26B 0.9800 . ?
C26A H26C 0.9800 . ?
C21B C22B 1.46(4) . ?
C21B C23B 1.502(15) . ?
C21B C24B 1.504(15) . ?
C22B C25B 1.526(15) . ?
C22B C26B 1.527(15) . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27 C28 1.404(4) . ?
C27 C32 1.398(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.392(4) . ?
C29 C30 1.373(5) . ?
C29 C33 1.509(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(5) . ?
C31 C32 1.393(4) . ?
C31 C34 1.491(5) . ?
C32 H32 0.9500 . ?
C33 F1A 1.321(4) . ?
C33 F2A 1.321(4) . ?
C33 F3A 1.319(4) . ?
C33 F1B 1.314(14) . ?
C33 F2B 1.318(14) . ?
C33 F3B 1.321(14) . ?
C34 F4A 1.306(5) . ?
C34 F5A 1.355(5) . ?
C34 F6A 1.327(5) . ?
C34 F4B 1.303(11) . ?
C34 F5B 1.346(13) . ?
C34 F6B 1.432(12) . ?
C35 C36 1.396(4) . ?
C35 C40 1.400(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.393(4) . ?
C37 C38 1.378(4) . ?
C37 C41 1.495(5) . ?
C38 H38 0.9500 . ?
C38 C39 1.384(5) . ?
C39 C40 1.389(4) . ?
C39 C42 1.492(5) . ?
C40 H40 0.9500 . ?
C41 F7 1.320(4) . ?
C41 F8 1.341(4) . ?
C41 F9 1.330(4) . ?
C42 F10A 1.294(7) . ?
C42 F11A 1.308(6) . ?
C42 F12A 1.380(6) . ?
C42 F10B 1.386(8) . ?
C42 F11B 1.253(7) . ?
C42 F12B 1.275(9) . ?
C43 C44 1.404(4) . ?
C43 C48 1.399(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.385(4) . ?
C45 C46 1.385(5) . ?
C45 C49 1.498(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.382(4) . ?
C47 C48 1.399(4) . ?
C47 C50 1.484(5) . ?
C48 H48 0.9500 . ?
C49 F13A 1.370(6) . ?
C49 F14A 1.315(7) . ?
C49 F15A 1.320(6) . ?
C49 F13B 1.299(9) . ?
C49 F14B 1.331(10) . ?
C49 F15B 1.351(9) . ?
C50 F16A 1.316(4) . ?
C50 F17A 1.337(4) . ?
C50 F18A 1.343(4) . ?
C50 F16B 1.328(12) . ?
C50 F17B 1.255(12) . ?
C50 F18B 1.316(12) . ?
C51 C52 1.400(4) . ?
C51 C56 1.399(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.397(4) . ?
C53 C54 1.383(4) . ?
C53 C57 1.490(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.387(4) . ?
C55 C56 1.389(4) . ?
C55 C58 1.493(4) . ?
C56 H56 0.9500 . ?
C57 F19A 1.308(5) . ?
C57 F20A 1.339(5) . ?
C57 F21A 1.315(4) . ?
C57 F19B 1.270(8) . ?
C57 F20B 1.281(9) . ?
C57 F21B 1.345(9) . ?
C58 F22B 1.317(7) . ?
C58 F23B 1.343(6) . ?
C58 F24B 1.329(7) . ?
C58 F22A 1.358(11) . ?
C58 F23A 1.313(10) . ?
C58 F24A 1.325(10) . ?

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
O1 Pt01 H 176.2(19) . . ?
C1 Pt01 H 86.2(19) . . ?
C1 Pt01 O1 95.76(10) . . ?
C11 Pt01 H 89.3(19) . . ?
C11 Pt01 O1 88.55(11) . . ?
C11 Pt01 C1 174.18(13) . . ?
O1 B1 C20 120.4(3) . . ?
O2 B1 O1 112.6(3) . . ?
O2 B1 C20 127.0(3) . . ?
C27 B2 C35 112.2(2) . . ?
C27 B2 C43 111.4(2) . . ?
C27 B2 C51 103.2(2) . . ?
C35 B2 C43 104.4(2) . . ?
C35 B2 C51 113.0(2) . . ?
C43 B2 C51 112.9(2) . . ?
B1 O1 Pt01 113.4(2) . . ?
B1 O1 C21A 108.5(4) . . ?
B1 O1 C21B 104.3(12) . . ?
C21A O1 Pt01 129.5(3) . . ?
C21B O1 Pt01 139.5(10) . . ?
B1 O2 C22A 108.2(4) . . ?
B1 O2 C22B 106.7(10) . . ?
C1 N1 C2 110.8(3) . . ?
C1 N1 C4 124.7(3) . . ?
C2 N1 C4 124.4(3) . . ?
C1 N2 C3 110.3(3) . . ?
C1 N2 C7 125.8(3) . . ?
C3 N2 C7 123.8(3) . . ?
C11 N3 C12 110.0(3) . . ?
C11 N3 C17 129.0(3) . . ?
C12 N3 C17 120.5(3) . . ?
C11 N4 C13 110.7(3) . . ?
C11 N4 C14 125.4(3) . . ?
C13 N4 C14 123.9(3) . . ?
N1 C1 Pt01 122.5(2) . . ?
N2 C1 Pt01 133.0(2) . . ?
N2 C1 N1 104.4(3) . . ?
N1 C2 H2 126.7 . . ?
C3 C2 N1 106.5(3) . . ?
C3 C2 H2 126.7 . . ?
N2 C3 H3 126.0 . . ?
C2 C3 N2 108.0(3) . . ?
C2 C3 H3 126.0 . . ?
N1 C4 H4 107.7 . . ?
N1 C4 C5 111.1(3) . . ?
N1 C4 C6 110.3(3) . . ?
C5 C4 H4 107.7 . . ?
C5 C4 C6 112.1(4) . . ?
C6 C4 H4 107.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 109.2(3) . . ?
N2 C7 C9 108.2(3) . . ?
N2 C7 C10 109.5(3) . . ?
C9 C7 C8 109.4(3) . . ?
C10 C7 C8 109.1(3) . . ?
C10 C7 C9 111.4(3) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 Pt01 133.2(3) . . ?
N4 C11 Pt01 122.3(3) . . ?
N4 C11 N3 104.5(3) . . ?
N3 C12 H12 126.2 . . ?
C13 C12 N3 107.6(3) . . ?
C13 C12 H12 126.2 . . ?
N4 C13 H13 126.4 . . ?
C12 C13 N4 107.2(4) . . ?
C12 C13 H13 126.4 . . ?
N4 C14 H14 107.9 . . ?
N4 C14 C15 110.8(4) . . ?
N4 C14 C16 109.0(4) . . ?
C15 C14 H14 107.9 . . ?
C16 C14 H14 107.9 . . ?
C16 C14 C15 113.1(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C17 C18 107.1(3) . . ?
N3 C17 C19 109.1(3) . . ?
N3 C17 C20 111.7(3) . . ?
C18 C17 C19 110.8(3) . . ?
C18 C17 C20 109.1(3) . . ?
C19 C17 C20 109.1(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
B1 C20 H20A 108.6 . . ?
B1 C20 H20B 108.6 . . ?
C17 C20 B1 114.5(3) . . ?
C17 C20 H20A 108.6 . . ?
C17 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
O1 C21A C22A 101.1(5) . . ?
O1 C21A C23A 109.2(6) . . ?
O1 C21A C24A 105.1(5) . . ?
C23A C21A C22A 116.1(6) . . ?
C23A C21A C24A 111.3(6) . . ?
C24A C21A C22A 112.9(6) . . ?
O2 C22A C21A 103.1(5) . . ?
O2 C22A C25A 107.3(6) . . ?
O2 C22A C26A 107.1(6) . . ?
C25A C22A C21A 111.2(6) . . ?
C26A C22A C21A 115.8(7) . . ?
C26A C22A C25A 111.6(6) . . ?
C21A C23A H23A 109.5 . . ?
C21A C23A H23B 109.5 . . ?
C21A C23A H23C 109.5 . . ?
H23A C23A H23B 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C21A C24A H24A 109.5 . . ?
C21A C24A H24B 109.5 . . ?
C21A C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
C22A C25A H25A 109.5 . . ?
C22A C25A H25B 109.5 . . ?
C22A C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
C22A C26A H26A 109.5 . . ?
C22A C26A H26B 109.5 . . ?
C22A C26A H26C 109.5 . . ?
H26A C26A H26B 109.5 . . ?
H26A C26A H26C 109.5 . . ?
H26B C26A H26C 109.5 . . ?
O1 C21B C22B 105.2(18) . . ?
O1 C21B C23B 104(2) . . ?
O1 C21B C24B 107(2) . . ?
C22B C21B C23B 113(2) . . ?
C22B C21B C24B 116(3) . . ?
C23B C21B C24B 111.2(17) . . ?
O2 C22B C21B 102.8(18) . . ?
O2 C22B C25B 100.6(18) . . ?
O2 C22B C26B 104.9(19) . . ?
C21B C22B C25B 117(2) . . ?
C21B C22B C26B 118(2) . . ?
C25B C22B C26B 110.6(17) . . ?
C21B C23B H23D 109.5 . . ?
C21B C23B H23E 109.5 . . ?
C21B C23B H23F 109.5 . . ?
H23D C23B H23E 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
C21B C24B H24D 109.5 . . ?
C21B C24B H24E 109.5 . . ?
C21B C24B H24F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
C22B C25B H25D 109.5 . . ?
C22B C25B H25E 109.5 . . ?
C22B C25B H25F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
C22B C26B H26D 109.5 . . ?
C22B C26B H26E 109.5 . . ?
C22B C26B H26F 109.5 . . ?
H26D C26B H26E 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
C28 C27 B2 121.6(3) . . ?
C32 C27 B2 122.0(3) . . ?
C32 C27 C28 116.0(3) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 C33 119.3(3) . . ?
C30 C29 C28 121.1(3) . . ?
C30 C29 C33 119.5(3) . . ?
C29 C30 H30 120.7 . . ?
C29 C30 C31 118.6(3) . . ?
C31 C30 H30 120.7 . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 C34 120.2(3) . . ?
C32 C31 C34 119.4(3) . . ?
C27 C32 H32 118.9 . . ?
C31 C32 C27 122.2(3) . . ?
C31 C32 H32 118.9 . . ?
F1A C33 C29 113.3(3) . . ?
F1A C33 F2A 106.2(3) . . ?
F2A C33 C29 111.7(3) . . ?
F3A C33 C29 112.4(3) . . ?
F3A C33 F1A 106.8(3) . . ?
F3A C33 F2A 106.1(3) . . ?
F1B C33 C29 118(2) . . ?
F1B C33 F2B 106.9(15) . . ?
F1B C33 F3B 106.6(15) . . ?
F2B C33 C29 113(2) . . ?
F2B C33 F3B 105.9(14) . . ?
F3B C33 C29 106(2) . . ?
F4A C34 C31 113.0(3) . . ?
F4A C34 F5A 105.5(4) . . ?
F4A C34 F6A 108.5(4) . . ?
F5A C34 C31 111.1(4) . . ?
F6A C34 C31 113.3(3) . . ?
F6A C34 F5A 105.0(4) . . ?
F4B C34 C31 123.4(9) . . ?
F4B C34 F5B 106.1(11) . . ?
F4B C34 F6B 98.6(9) . . ?
F5B C34 C31 116.6(14) . . ?
F5B C34 F6B 95.7(10) . . ?
F6B C34 C31 111.7(7) . . ?
C36 C35 B2 122.6(2) . . ?
C36 C35 C40 115.4(3) . . ?
C40 C35 B2 121.8(3) . . ?
C35 C36 H36 118.7 . . ?
C37 C36 C35 122.6(3) . . ?
C37 C36 H36 118.7 . . ?
C36 C37 C41 118.4(3) . . ?
C38 C37 C36 120.6(3) . . ?
C38 C37 C41 120.9(3) . . ?
C37 C38 H38 120.9 . . ?
C37 C38 C39 118.2(3) . . ?
C39 C38 H38 120.9 . . ?
C38 C39 C40 120.8(3) . . ?
C38 C39 C42 119.3(3) . . ?
C40 C39 C42 119.9(3) . . ?
C35 C40 H40 118.8 . . ?
C39 C40 C35 122.3(3) . . ?
C39 C40 H40 118.8 . . ?
F7 C41 C37 112.2(3) . . ?
F7 C41 F8 106.2(3) . . ?
F7 C41 F9 106.2(3) . . ?
F8 C41 C37 112.3(3) . . ?
F9 C41 C37 113.3(3) . . ?
F9 C41 F8 106.1(3) . . ?
F10A C42 C39 116.1(5) . . ?
F10A C42 F11A 109.1(5) . . ?
F10A C42 F12A 103.2(5) . . ?
F11A C42 C39 114.5(4) . . ?
F11A C42 F12A 101.7(5) . . ?
F12A C42 C39 110.6(4) . . ?
F10B C42 C39 107.4(5) . . ?
F11B C42 C39 116.1(4) . . ?
F11B C42 F10B 104.3(7) . . ?
F11B C42 F12B 113.6(8) . . ?
F12B C42 C39 111.0(6) . . ?
F12B C42 F10B 103.2(6) . . ?
C44 C43 B2 119.6(3) . . ?
C48 C43 B2 124.4(2) . . ?
C48 C43 C44 115.8(3) . . ?
C43 C44 H44 119.0 . . ?
C45 C44 C43 121.9(3) . . ?
C45 C44 H44 119.0 . . ?
C44 C45 C49 120.8(3) . . ?
C46 C45 C44 121.3(3) . . ?
C46 C45 C49 117.8(3) . . ?
C45 C46 H46 120.9 . . ?
C47 C46 C45 118.1(3) . . ?
C47 C46 H46 120.9 . . ?
C46 C47 C48 120.6(3) . . ?
C46 C47 C50 119.2(3) . . ?
C48 C47 C50 120.2(3) . . ?
C43 C48 C47 122.2(3) . . ?
C43 C48 H48 118.9 . . ?
C47 C48 H48 118.9 . . ?
F13A C49 C45 110.8(4) . . ?
F14A C49 C45 114.4(5) . . ?
F14A C49 F13A 104.6(5) . . ?
F14A C49 F15A 108.2(5) . . ?
F15A C49 C45 112.6(4) . . ?
F15A C49 F13A 105.6(4) . . ?
F13B C49 C45 115.5(7) . . ?
F13B C49 F14B 108.7(8) . . ?
F13B C49 F15B 107.5(7) . . ?
F14B C49 C45 111.6(9) . . ?
F14B C49 F15B 103.9(8) . . ?
F15B C49 C45 108.9(7) . . ?
F16A C50 C47 113.7(3) . . ?
F16A C50 F17A 106.6(3) . . ?
F16A C50 F18A 105.9(3) . . ?
F17A C50 C47 114.1(3) . . ?
F17A C50 F18A 103.4(3) . . ?
F18A C50 C47 112.3(3) . . ?
F16B C50 C47 105.2(12) . . ?
F17B C50 C47 114.3(13) . . ?
F17B C50 F16B 111.1(12) . . ?
F17B C50 F18B 111.2(12) . . ?
F18B C50 C47 108.5(11) . . ?
F18B C50 F16B 106.1(11) . . ?
C52 C51 B2 123.1(2) . . ?
C56 C51 B2 121.0(2) . . ?
C56 C51 C52 115.6(3) . . ?
C51 C52 H52 119.1 . . ?
C53 C52 C51 121.9(3) . . ?
C53 C52 H52 119.1 . . ?
C52 C53 C57 119.1(3) . . ?
C54 C53 C52 121.3(3) . . ?
C54 C53 C57 119.6(3) . . ?
C53 C54 H54 121.2 . . ?
C53 C54 C55 117.6(3) . . ?
C55 C54 H54 121.2 . . ?
C54 C55 C56 121.0(3) . . ?
C54 C55 C58 120.2(3) . . ?
C56 C55 C58 118.8(3) . . ?
C51 C56 H56 118.8 . . ?
C55 C56 C51 122.4(3) . . ?
C55 C56 H56 118.8 . . ?
F19A C57 C53 113.5(3) . . ?
F19A C57 F20A 103.5(4) . . ?
F19A C57 F21A 106.7(4) . . ?
F20A C57 C53 112.4(3) . . ?
F21A C57 C53 114.7(3) . . ?
F21A C57 F20A 105.2(4) . . ?
F19B C57 C53 116.1(5) . . ?
F19B C57 F20B 109.7(8) . . ?
F19B C57 F21B 104.8(8) . . ?
F20B C57 C53 110.8(6) . . ?
F20B C57 F21B 104.3(8) . . ?
F21B C57 C53 110.4(5) . . ?
F22B C58 C55 114.2(6) . . ?
F22B C58 F23B 106.7(5) . . ?
F22B C58 F24B 105.3(6) . . ?
F23B C58 C55 111.4(4) . . ?
F24B C58 C55 112.4(6) . . ?
F24B C58 F23B 106.2(6) . . ?
F22A C58 C55 109.1(10) . . ?
F23A C58 C55 117.4(8) . . ?
F23A C58 F22A 104.1(8) . . ?
F23A C58 F24A 109.0(10) . . ?
F24A C58 C55 111.9(9) . . ?
F24A C58 F22A 104.2(10) . . ?

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
Pt01 O1 C21A C22A 166.4(3) . . . . ?
Pt01 O1 C21A C23A -70.7(6) . . . . ?
Pt01 O1 C21A C24A 48.8(6) . . . . ?
Pt01 O1 C21B C22B 137.8(13) . . . . ?
Pt01 O1 C21B C23B -103.1(13) . . . . ?
Pt01 O1 C21B C24B 15(3) . . . . ?
B1 O1 C21A C22A 21.5(5) . . . . ?
B1 O1 C21A C23A 144.4(5) . . . . ?
B1 O1 C21A C24A -96.1(5) . . . . ?
B1 O1 C21B C22B -20.6(14) . . . . ?
B1 O1 C21B C23B 98.5(16) . . . . ?
B1 O1 C21B C24B -143.9(15) . . . . ?
B1 O2 C22A C21A 20.8(6) . . . . ?
B1 O2 C22A C25A -96.7(5) . . . . ?
B1 O2 C22A C26A 143.4(5) . . . . ?
B1 O2 C22B C21B -26.2(15) . . . . ?
B1 O2 C22B C25B -146.9(13) . . . . ?
B1 O2 C22B C26B 98.3(14) . . . . ?
B2 C27 C28 C29 172.0(3) . . . . ?
B2 C27 C32 C31 -173.7(3) . . . . ?
B2 C35 C36 C37 -176.8(3) . . . . ?
B2 C35 C40 C39 176.9(3) . . . . ?
B2 C43 C44 C45 175.7(3) . . . . ?
B2 C43 C48 C47 -177.9(3) . . . . ?
B2 C51 C52 C53 177.0(3) . . . . ?
B2 C51 C56 C55 -178.6(3) . . . . ?
O1 B1 O2 C22A -7.7(5) . . . . ?
O1 B1 O2 C22B 14.2(9) . . . . ?
O1 B1 C20 C17 -101.6(4) . . . . ?
O1 C21A C22A O2 -24.7(6) . . . . ?
O1 C21A C22A C25A 90.0(6) . . . . ?
O1 C21A C22A C26A -141.3(6) . . . . ?
O1 C21B C22B O2 28.5(15) . . . . ?
O1 C21B C22B C25B 138(2) . . . . ?
O1 C21B C22B C26B -87(2) . . . . ?
O2 B1 O1 Pt01 -160.7(2) . . . . ?
O2 B1 O1 C21A -9.7(5) . . . . ?
O2 B1 O1 C21B 4.2(9) . . . . ?
O2 B1 C20 C17 78.2(5) . . . . ?
N1 C2 C3 N2 0.5(4) . . . . ?
N3 C12 C13 N4 0.3(6) . . . . ?
N3 C17 C20 B1 52.9(4) . . . . ?
C1 N1 C2 C3 0.2(4) . . . . ?
C1 N1 C4 C5 142.9(3) . . . . ?
C1 N1 C4 C6 -92.1(4) . . . . ?
C1 N2 C3 C2 -1.1(4) . . . . ?
C1 N2 C7 C8 172.1(3) . . . . ?
C1 N2 C7 C9 -69.0(4) . . . . ?
C1 N2 C7 C10 52.6(4) . . . . ?
C2 N1 C1 Pt01 -179.1(2) . . . . ?
C2 N1 C1 N2 -0.8(4) . . . . ?
C2 N1 C4 C5 -41.7(5) . . . . ?
C2 N1 C4 C6 83.2(4) . . . . ?
C3 N2 C1 Pt01 179.2(3) . . . . ?
C3 N2 C1 N1 1.2(4) . . . . ?
C3 N2 C7 C8 -10.7(5) . . . . ?
C3 N2 C7 C9 108.3(4) . . . . ?
C3 N2 C7 C10 -130.1(4) . . . . ?
C4 N1 C1 Pt01 -3.2(4) . . . . ?
C4 N1 C1 N2 175.1(3) . . . . ?
C4 N1 C2 C3 -175.7(3) . . . . ?
C7 N2 C1 Pt01 -3.3(5) . . . . ?
C7 N2 C1 N1 178.7(3) . . . . ?
C7 N2 C3 C2 -178.7(3) . . . . ?
C11 N3 C12 C13 -1.6(5) . . . . ?
C11 N3 C17 C18 -95.6(4) . . . . ?
C11 N3 C17 C19 144.4(4) . . . . ?
C11 N3 C17 C20 23.8(5) . . . . ?
C11 N4 C13 C12 1.2(6) . . . . ?
C11 N4 C14 C15 -132.1(4) . . . . ?
C11 N4 C14 C16 102.8(4) . . . . ?
C12 N3 C11 Pt01 -179.6(3) . . . . ?
C12 N3 C11 N4 2.2(4) . . . . ?
C12 N3 C17 C18 75.4(4) . . . . ?
C12 N3 C17 C19 -44.6(4) . . . . ?
C12 N3 C17 C20 -165.2(3) . . . . ?
C13 N4 C11 Pt01 179.5(3) . . . . ?
C13 N4 C11 N3 -2.0(4) . . . . ?
C13 N4 C14 C15 50.7(5) . . . . ?
C13 N4 C14 C16 -74.4(6) . . . . ?
C14 N4 C11 Pt01 2.0(5) . . . . ?
C14 N4 C11 N3 -179.6(4) . . . . ?
C14 N4 C13 C12 178.7(4) . . . . ?
C17 N3 C11 Pt01 -7.8(5) . . . . ?
C17 N3 C11 N4 174.0(3) . . . . ?
C17 N3 C12 C13 -174.2(4) . . . . ?
C18 C17 C20 B1 171.1(3) . . . . ?
C19 C17 C20 B1 -67.7(4) . . . . ?
C20 B1 O1 Pt01 19.1(4) . . . . ?
C20 B1 O1 C21A 170.2(4) . . . . ?
C20 B1 O1 C21B -175.9(8) . . . . ?
C20 B1 O2 C22A 172.4(4) . . . . ?
C20 B1 O2 C22B -165.6(9) . . . . ?
C23A C21A C22A O2 -142.7(6) . . . . ?
C23A C21A C22A C25A -28.0(10) . . . . ?
C23A C21A C22A C26A 100.7(8) . . . . ?
C24A C21A C22A O2 87.1(7) . . . . ?
C24A C21A C22A C25A -158.2(6) . . . . ?
C24A C21A C22A C26A -29.5(10) . . . . ?
C23B C21B C22B O2 -84(2) . . . . ?
C23B C21B C22B C25B 25(4) . . . . ?
C23B C21B C22B C26B 161(2) . . . . ?
C24B C21B C22B O2 146(2) . . . . ?
C24B C21B C22B C25B -105(3) . . . . ?
C24B C21B C22B C26B 31(4) . . . . ?
C27 B2 C35 C36 -28.8(4) . . . . ?
C27 B2 C35 C40 156.7(3) . . . . ?
C27 B2 C43 C44 54.0(3) . . . . ?
C27 B2 C43 C48 -131.4(3) . . . . ?
C27 B2 C51 C52 -96.2(3) . . . . ?
C27 B2 C51 C56 78.0(3) . . . . ?
C27 C28 C29 C30 1.7(5) . . . . ?
C27 C28 C29 C33 -174.8(3) . . . . ?
C28 C27 C32 C31 -0.9(4) . . . . ?
C28 C29 C30 C31 -0.9(5) . . . . ?
C28 C29 C33 F1A -26.9(5) . . . . ?
C28 C29 C33 F2A 93.0(4) . . . . ?
C28 C29 C33 F3A -148.0(3) . . . . ?
C28 C29 C33 F1B 27(3) . . . . ?
C28 C29 C33 F2B 152(2) . . . . ?
C28 C29 C33 F3B -92(2) . . . . ?
C29 C30 C31 C32 -0.9(5) . . . . ?
C29 C30 C31 C34 -178.0(3) . . . . ?
C30 C29 C33 F1A 156.5(3) . . . . ?
C30 C29 C33 F2A -83.7(4) . . . . ?
C30 C29 C33 F3A 35.4(5) . . . . ?
C30 C29 C33 F1B -149(3) . . . . ?
C30 C29 C33 F2B -24(2) . . . . ?
C30 C29 C33 F3B 91(2) . . . . ?
C30 C31 C32 C27 1.8(5) . . . . ?
C30 C31 C34 F4A 87.8(5) . . . . ?
C30 C31 C34 F5A -30.4(5) . . . . ?
C30 C31 C34 F6A -148.4(4) . . . . ?
C30 C31 C34 F4B 11.2(16) . . . . ?
C30 C31 C34 F5B -123.3(12) . . . . ?
C30 C31 C34 F6B 128.1(12) . . . . ?
C32 C27 C28 C29 -0.8(4) . . . . ?
C32 C31 C34 F4A -89.4(5) . . . . ?
C32 C31 C34 F5A 152.4(4) . . . . ?
C32 C31 C34 F6A 34.4(5) . . . . ?
C32 C31 C34 F4B -166.0(15) . . . . ?
C32 C31 C34 F5B 59.5(13) . . . . ?
C32 C31 C34 F6B -49.1(12) . . . . ?
C33 C29 C30 C31 175.7(3) . . . . ?
C34 C31 C32 C27 179.0(3) . . . . ?
C35 B2 C27 C28 148.7(3) . . . . ?
C35 B2 C27 C32 -38.9(4) . . . . ?
C35 B2 C43 C44 -67.3(3) . . . . ?
C35 B2 C43 C48 107.4(3) . . . . ?
C35 B2 C51 C52 25.1(4) . . . . ?
C35 B2 C51 C56 -160.6(3) . . . . ?
C35 C36 C37 C38 0.8(5) . . . . ?
C35 C36 C37 C41 -178.0(3) . . . . ?
C36 C35 C40 C39 2.1(4) . . . . ?
C36 C37 C38 C39 0.5(5) . . . . ?
C36 C37 C41 F7 52.6(4) . . . . ?
C36 C37 C41 F8 -67.0(4) . . . . ?
C36 C37 C41 F9 172.9(3) . . . . ?
C37 C38 C39 C40 -0.4(5) . . . . ?
C37 C38 C39 C42 179.4(3) . . . . ?
C38 C37 C41 F7 -126.3(3) . . . . ?
C38 C37 C41 F8 114.2(4) . . . . ?
C38 C37 C41 F9 -6.0(5) . . . . ?
C38 C39 C40 C35 -0.9(5) . . . . ?
C38 C39 C42 F10A 6.0(7) . . . . ?
C38 C39 C42 F11A -122.6(7) . . . . ?
C38 C39 C42 F12A 123.1(5) . . . . ?
C38 C39 C42 F10B -71.1(7) . . . . ?
C38 C39 C42 F11B 172.7(10) . . . . ?
C38 C39 C42 F12B 41.0(9) . . . . ?
C40 C35 C36 C37 -2.0(4) . . . . ?
C40 C39 C42 F10A -174.1(6) . . . . ?
C40 C39 C42 F11A 57.2(7) . . . . ?
C40 C39 C42 F12A -57.0(6) . . . . ?
C40 C39 C42 F10B 108.7(7) . . . . ?
C40 C39 C42 F11B -7.4(10) . . . . ?
C40 C39 C42 F12B -139.2(8) . . . . ?
C41 C37 C38 C39 179.3(3) . . . . ?
C42 C39 C40 C35 179.2(3) . . . . ?
C43 B2 C27 C28 32.0(4) . . . . ?
C43 B2 C27 C32 -155.6(3) . . . . ?
C43 B2 C35 C36 91.9(3) . . . . ?
C43 B2 C35 C40 -82.6(3) . . . . ?
C43 B2 C51 C52 143.3(3) . . . . ?
C43 B2 C51 C56 -42.4(4) . . . . ?
C43 C44 C45 C46 2.1(5) . . . . ?
C43 C44 C45 C49 -175.1(3) . . . . ?
C44 C43 C48 C47 -3.0(4) . . . . ?
C44 C45 C46 C47 -2.3(5) . . . . ?
C44 C45 C49 F13A -130.5(6) . . . . ?
C44 C45 C49 F14A -12.5(7) . . . . ?
C44 C45 C49 F15A 111.5(7) . . . . ?
C44 C45 C49 F13B -157.1(10) . . . . ?
C44 C45 C49 F14B -32.3(9) . . . . ?
C44 C45 C49 F15B 81.9(10) . . . . ?
C45 C46 C47 C48 -0.1(5) . . . . ?
C45 C46 C47 C50 -178.7(3) . . . . ?
C46 C45 C49 F13A 52.3(6) . . . . ?
C46 C45 C49 F14A 170.2(6) . . . . ?
C46 C45 C49 F15A -65.7(7) . . . . ?
C46 C45 C49 F13B 25.6(11) . . . . ?
C46 C45 C49 F14B 150.5(8) . . . . ?
C46 C45 C49 F15B -95.4(10) . . . . ?
C46 C47 C48 C43 2.8(5) . . . . ?
C46 C47 C50 F16A -45.3(5) . . . . ?
C46 C47 C50 F17A -167.8(3) . . . . ?
C46 C47 C50 F18A 74.9(4) . . . . ?
C46 C47 C50 F16B -91.2(15) . . . . ?
C46 C47 C50 F17B 146.7(16) . . . . ?
C46 C47 C50 F18B 22.0(15) . . . . ?
C48 C43 C44 C45 0.6(4) . . . . ?
C48 C47 C50 F16A 136.1(3) . . . . ?
C48 C47 C50 F17A 13.5(5) . . . . ?
C48 C47 C50 F18A -103.7(4) . . . . ?
C48 C47 C50 F16B 90.1(15) . . . . ?
C48 C47 C50 F17B -31.9(16) . . . . ?
C48 C47 C50 F18B -156.6(15) . . . . ?
C49 C45 C46 C47 174.9(3) . . . . ?
C50 C47 C48 C43 -178.6(3) . . . . ?
C51 B2 C27 C28 -89.4(3) . . . . ?
C51 B2 C27 C32 83.0(3) . . . . ?
C51 B2 C35 C36 -145.0(3) . . . . ?
C51 B2 C35 C40 40.5(4) . . . . ?
C51 B2 C43 C44 169.6(3) . . . . ?
C51 B2 C43 C48 -15.7(4) . . . . ?
C51 C52 C53 C54 0.2(5) . . . . ?
C51 C52 C53 C57 -179.4(3) . . . . ?
C52 C51 C56 C55 -3.9(4) . . . . ?
C52 C53 C54 C55 -1.5(4) . . . . ?
C52 C53 C57 F19A 73.0(5) . . . . ?
C52 C53 C57 F20A -44.0(5) . . . . ?
C52 C53 C57 F21A -164.0(4) . . . . ?
C52 C53 C57 F19B 8.6(9) . . . . ?
C52 C53 C57 F20B -117.4(8) . . . . ?
C52 C53 C57 F21B 127.6(8) . . . . ?
C53 C54 C55 C56 0.1(4) . . . . ?
C53 C54 C55 C58 178.9(3) . . . . ?
C54 C53 C57 F19A -106.7(4) . . . . ?
C54 C53 C57 F20A 136.4(4) . . . . ?
C54 C53 C57 F21A 16.3(5) . . . . ?
C54 C53 C57 F19B -171.1(9) . . . . ?
C54 C53 C57 F20B 63.0(9) . . . . ?
C54 C53 C57 F21B -52.0(9) . . . . ?
C54 C55 C56 C51 2.8(4) . . . . ?
C54 C55 C58 F22B 114.9(8) . . . . ?
C54 C55 C58 F23B -6.2(7) . . . . ?
C54 C55 C58 F24B -125.2(7) . . . . ?
C54 C55 C58 F22A 135.7(12) . . . . ?
C54 C55 C58 F23A 17.7(15) . . . . ?
C54 C55 C58 F24A -109.5(10) . . . . ?
C56 C51 C52 C53 2.4(4) . . . . ?
C56 C55 C58 F22B -66.3(8) . . . . ?
C56 C55 C58 F23B 172.7(6) . . . . ?
C56 C55 C58 F24B 53.6(8) . . . . ?
C56 C55 C58 F22A -45.4(12) . . . . ?
C56 C55 C58 F23A -163.5(14) . . . . ?
C56 C55 C58 F24A 69.3(11) . . . . ?
C57 C53 C54 C55 178.1(3) . . . . ?
C58 C55 C56 C51 -176.0(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2CL2, pentane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2033932'
loop_
_audit_author_name
_audit_author_address
'Francisco Jose Fernandez de Cordova Martin'
;Instituto de Investigaciones Quimicas (CSIC US)
Spain
;
_audit_update_record             
;
2020-09-25 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_2                   
;
PROBLEM: Check Calcd Resid. Dens.  0.80A   From Pt2             6.29 eA-3
RESPONSE: Larger than expected residual density maximum outside metal  atom locations. This might be caused by unaccounted for twinning, wrongly assigned  atom types, unaccounted for solvent and other model errors.The residual density  around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no twinning was found. The residual density accounted for large number electrons in the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT971_2_2                 
;
PROBLEM: Check Calcd Resid. Dens.  0.63A   From Pt1             4.06 eA-3
RESPONSE: Larger than expected residual density maximum outside metal  atom locations. This might be caused by unaccounted for twinning, wrongly assigned  atom types, unaccounted for solvent and other model errors.The residual density  around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no twinning was found. The residual density accounted for large number electrons in the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT972_2                   
;
PROBLEM: Check Calcd Resid. Dens.  0.75A   From Pt2            -3.54 eA-3
RESPONSE: Larger than expected residual density minimum outside metal  atom locations. This might be caused by unaccounted for twinning, wrongly assigned  atom types, unaccounted for solvent and other model errors.The residual density  around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no twinning was found. The residual density accounted for large number electrons in the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT973_2                   
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt1       3.61 eA-3
RESPONSE: Larger than expected residual density maximum on metal atom location.   This might be caused by unaccounted for twinning, wrongly assigned  atom types and other model errors.Another cause may be a SHELXL 'DAMP 0 0'  instruction for a non-converged refinement.The residual density  around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no twinning was found. The residual density accounted for large number electrons in the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT973_2_2                 
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt2       3.15 eA-3
RESPONSE: Larger than expected residual density maximum on metal atom location.   This might be caused by unaccounted for twinning, wrongly assigned  atom types and other model errors.Another cause may be a SHELXL 'DAMP 0 0'  instruction for a non-converged refinement.The residual density  around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no twinning was found. The residual density accounted for large number electrons in the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT971_2_3                 
;
PROBLEM: Check Calcd Resid. Dens.  0.78A   From Pt2             3.13 eA-3
RESPONSE: Larger than expected residual density maximum outside metal  atom locations. This might be caused by unaccounted for twinning, wrongly assigned  atom types, unaccounted for solvent and other model errors.The residual density  around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no twinning was found. The residual density accounted for large number electrons in the platinum atom. New crystallization trials did not provide better crystals.
;
# Added during the CSD deposition process: Friday 25 September 2020 12:30 PM
# end Validation Reply Form

# start Validation Reply Form ==================================
_vrf_PLAT971_ag_sal0719a_0m_a    
;
PROBLEM: Check Calcd Resid. Dens. 0.80A From Pt2 6.29 eA-3
RESPONSE: Larger than expected residual density maximum outside metal 
atom locations. This might be caused by unaccounted for twinning, wrongly assigned 
atom types, unaccounted for solvent and other model errors.The residual density 
around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no
twinning was found. The residual density accounted for large number electrons in
the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT972_ag_sal0719a_0m_a    
;
PROBLEM: Check Calcd Resid. Dens. 0.75A From Pt2 -3.54 eA-3
RESPONSE: Larger than expected residual density minimum outside metal 
atom locations. This might be caused by unaccounted for twinning, wrongly assigned 
atom types, unaccounted for solvent and other model errors.The residual density 
around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no
twinning was found. The residual density accounted for large number electrons in
the platinum atom. New crystallization trials did not provide better crystals.
;
_vrf_PLAT973_ag_sal0719a_0m_a    
;
PROBLEM: Check Calcd Positive Resid. Density on Pt1 3.61 eA-3
RESPONSE: Larger than expected residual density maximum on metal atom location.  
This might be caused by unaccounted for twinning, wrongly assigned 
atom types and other model errors.Another cause may be a SHELXL 'DAMP 0 0' 
instruction for a non-converged refinement.The residual density 
around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no
twinning was found. The residual density accounted for large number electrons in
the platinum atom. New crystallization trials did not provide better crystals.
;
# end Validation Reply Form ====================================

_audit_creation_date             2020-09-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H42 B N6 Pt, C32 H12 B F24'
_chemical_formula_sum            'C58 H54 B2 F24 N6 Pt'
_chemical_formula_weight         1507.78
_chemical_melting_point          ?
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'
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'
N N 0.0030 0.0019 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.7840(10)
_cell_length_b                   19.3314(12)
_cell_length_c                   19.4985(12)
_cell_angle_alpha                77.056(3)
_cell_angle_beta                 83.793(3)
_cell_angle_gamma                71.134(3)
_cell_volume                     6177.4(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    99.99
_cell_measurement_theta_max      24.05
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   0.870
_shelx_estimated_absorpt_T_min   0.696
_exptl_absorpt_coefficient_mu    1.302
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_correction_T_min  0.6256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1128 before and 0.0597 after correction.
The Ratio of minimum to maximum transmission is 0.8397.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2992
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_unetI/netI     0.0875
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            140866
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         24.105
_diffrn_reflns_theta_min         1.649
_diffrn_ambient_temperature      99.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_source                   ?
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                26520
_reflns_number_total             39747
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.18C (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         7.006
_refine_diff_density_min         -4.131
_refine_diff_density_rms         0.189
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1799
_refine_ls_number_reflns         39747
_refine_ls_number_restraints     486
_refine_ls_R_factor_all          0.1031
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0731P)²+16.4641P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1624
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C75-F13
 1.27 with sigma of 0.02
 C75-F14
 1.29 with sigma of 0.02
 C75-F15
 1.36 with sigma of 0.02
 C116-F48
 1.36 with sigma of 0.02
 C116-F46
 1.29 with sigma of 0.02
 C116-F47
 1.27 with sigma of 0.02
 C59-F3 \\sim C59-F2 \\sim C59-F1
 with sigma of 0.02
 F3-F2 \\sim F2-F1 \\sim F1-F3
 with sigma of 0.03
 C75-F14 \\sim C75-F15 \\sim C75-F13
 with sigma of 0.02
 F14-F15 \\sim F15-F13 \\sim F13-F14
 with sigma of 0.03
 F46-F48 \\sim F48-F47 \\sim F47-F46
 with sigma of 0.03
 C116-F46 \\sim C116-F48 \\sim C116-F47
 with sigma of 0.02
3. Rigid bond restraints
 C59, F2, F3A, F1, F2A, F3, F1A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C75, F13A, F15, F14A, F13, F15A, F14
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
 C68, F11, F10A, F12, F11A, F10, F12A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C67, F9, F7A, F8, F9A, F7, F8A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C116, F48A, F46, F47A, F48, F46A, F47
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C84, F23, F22, F24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C107, F41, F42, F40
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C59 \\sim F2 \\sim F3A \\sim F1 \\sim F2A \\sim F3 \\sim F1A: within 1.7A with
sigma of 0.001 and sigma for terminal atoms of 0.002 within 1.7A
C75 \\sim F13A \\sim F15 \\sim F14A \\sim F13 \\sim F15A \\sim F14: within 1.7A
with sigma of 0.005 and sigma for terminal atoms of 0.01 within 1.7A
C68 \\sim F11 \\sim F10A \\sim F12 \\sim F11A \\sim F10 \\sim F12A: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C67 \\sim F7 \\sim F9A \\sim F8 \\sim F7A \\sim F9 \\sim F8A: within 1.7A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C116 \\sim F48A \\sim F46 \\sim F47A \\sim F48 \\sim F46A \\sim F47: within
1.7A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 1.7A
C107 \\sim F41 \\sim F42 \\sim F40: within 1.7A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 1.7A
C84 \\sim F23 \\sim F22 \\sim F24: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.7A
5. Others
 Sof(F11A)=Sof(F12A)=Sof(F10A)=1-FVAR(1)
 Sof(F10)=Sof(F12)=Sof(F11)=FVAR(1)
 Sof(F3A)=Sof(F2A)=Sof(F1A)=1-FVAR(2)
 Sof(F3)=Sof(F2)=Sof(F1)=FVAR(2)
 Sof(F13A)=Sof(F14A)=Sof(F15A)=1-FVAR(3)
 Sof(F14)=Sof(F15)=Sof(F13)=FVAR(3)
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(4)
 Sof(F9)=Sof(F7)=Sof(F8)=FVAR(4)
 Sof(F46A)=Sof(F48A)=Sof(F47A)=1-FVAR(5)
 Sof(F46)=Sof(F48)=Sof(F47)=FVAR(5)
6.a Ternary CH refined with riding coordinates:
 C14(H14), C30(H30), C4(H4), C40(H40)
6.b Aromatic/amide H refined with riding coordinates:
 N5(H5), N12(H12A), N11(H11), C78(H78), N6(H6), C102(H102), C98(H98), C86(H86),
  C82(H82), C94(H94), C110(H110), C28(H28), C13(H13), C90(H90), C104(H104),
 C58(H58), C80(H80), C114(H114), C88(H88), C66(H66), C12(H12), C106(H106),
 C26(H26), C96(H96), C112(H112), C49(H49), C74(H74), C29(H29), C70(H70),
 C38(H38), C62(H62), C3(H3), C64(H64), C50(H50), C2(H2), C25(H25), C56(H56),
 C72(H72), C52(H52), C39(H39), C54(H54), C23(H23), C24(H24), C51(H51)
6.c Idealised Me refined as rotating group:
 C36(H36A,H36B,H36C), C32(H32A,H32B,H32C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C34(H34A,H34B,H34C), C44(H44A,H44B,H44C), C16(H16A,H16B,H16C), C35(H35A,H35B,
 H35C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C), C10(H10A,H10B,H10C), C15(H15A,
 H15B,H15C), C31(H31A,H31B,H31C), C41(H41A,H41B,H41C), C5(H5A,H5B,H5C),
 C20(H20A,H20B,H20C), C45(H45A,H45B,H45C), C6(H6A,H6B,H6C), C42(H42A,H42B,H42C),
  C46(H46A,H46B,H46C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 1.17787(2) 0.25059(2) 0.21971(2) 0.01768(5) Uani 1 1 d . . . . .
Pt2 Pt 0.83043(2) 0.25022(2) 0.79521(2) 0.02042(5) Uani 1 1 d . . . . .
F19 F 0.40605(18) 0.88890(18) 0.44851(16) 0.0287(7) Uani 1 1 d . . . . .
F21 F 0.33342(18) 0.86313(19) 0.38397(17) 0.0340(8) Uani 1 1 d . . . . .
F20 F 0.3573(2) 0.79946(19) 0.48894(17) 0.0368(8) Uani 1 1 d . . . . .
F26 F 0.0665(2) 0.9393(2) 0.82619(18) 0.0401(9) Uani 1 1 d . . . . .
F27 F 0.0680(2) 0.82484(19) 0.85438(16) 0.0360(8) Uani 1 1 d . . . . .
F30 F 0.1998(2) 0.9524(2) 0.50893(18) 0.0468(10) Uani 1 1 d . . . . .
F25 F -0.01671(19) 0.9045(2) 0.78239(18) 0.0447(10) Uani 1 1 d . . . . .
F34 F 0.5682(2) 0.5877(2) 0.5497(2) 0.0482(10) Uani 1 1 d . . . . .
F28 F 0.0893(3) 1.0162(2) 0.54920(19) 0.0589(13) Uani 1 1 d . . . . .
F5 F 0.9497(2) 0.7176(2) 0.1806(2) 0.0481(10) Uani 1 1 d . . . . .
F36 F 0.6281(2) 0.6678(2) 0.50626(18) 0.0462(10) Uani 1 1 d . . . . .
F35 F 0.6461(2) 0.6097(3) 0.61263(19) 0.0602(13) Uani 1 1 d . . . . .
F45 F 0.1805(3) 0.5128(2) 0.7946(2) 0.0654(14) Uani 1 1 d . . . . .
F29 F 0.0970(3) 0.9205(3) 0.5102(2) 0.0592(12) Uani 1 1 d . . . . .
N5 N 1.1054(3) 0.2051(2) 0.1068(2) 0.0243(9) Uani 1 1 d . . . . .
H5 H 1.056977 0.216563 0.126060 0.029 Uiso 1 1 calc R U . . .
N12 N 0.8955(3) 0.2940(2) 0.9131(2) 0.0232(9) Uani 1 1 d . . . . .
H12A H 0.945504 0.271969 0.901837 0.028 Uiso 1 1 calc R U . . .
F4 F 0.9483(2) 0.6584(2) 0.1016(2) 0.0497(10) Uani 1 1 d . . . . .
F6 F 0.9533(2) 0.6035(3) 0.2095(2) 0.0598(12) Uani 1 1 d . . . . .
N4 N 1.0698(3) 0.1847(2) 0.3280(2) 0.0240(9) Uani 1 1 d . . . . .
F38 F 0.3122(3) 0.7903(3) 0.9477(3) 0.0782(17) Uani 1 1 d . . . . .
N7 N 0.7967(2) 0.1307(2) 0.9124(2) 0.0242(9) Uani 1 1 d . . . . .
N3 N 1.1715(3) 0.0986(2) 0.2988(2) 0.0248(9) Uani 1 1 d . . . . .
F24 F 0.5961(3) 0.5311(2) 0.4107(3) 0.0690(14) Uani 1 1 d . U . . .
F39 F 0.4286(3) 0.7902(3) 0.9199(3) 0.0751(16) Uani 1 1 d . . . . .
F37 F 0.4036(4) 0.7098(3) 1.0048(2) 0.0802(17) Uani 1 1 d . . . . .
N8 N 0.6950(3) 0.1833(3) 0.8478(2) 0.0255(9) Uani 1 1 d . . . . .
N2 N 1.2922(3) 0.3413(3) 0.1726(2) 0.0306(11) Uani 1 1 d . . . . .
N11 N 0.7615(3) 0.3392(3) 0.9136(2) 0.0289(10) Uani 1 1 d . . . . .
H11 H 0.711598 0.350645 0.902736 0.035 Uiso 1 1 calc R U . . .
F32 F 0.4073(3) 0.9549(2) 0.5929(3) 0.0782(17) Uani 1 1 d . . . . .
C11 C 1.1352(3) 0.1731(3) 0.2835(2) 0.0186(9) Uani 1 1 d . . . . .
C1 C 1.2214(3) 0.3322(3) 0.1658(3) 0.0253(11) Uani 1 1 d . . . . .
C78 C 0.5235(3) 0.8040(3) 0.3681(2) 0.0177(9) Uani 1 1 d . . . . .
H78 H 0.520889 0.854531 0.364676 0.021 Uiso 1 1 calc R U . . .
N6 N 1.2364(3) 0.1898(3) 0.0842(3) 0.0331(11) Uani 1 1 d . . . . .
H6 H 1.285526 0.189990 0.086043 0.040 Uiso 1 1 calc R U . . .
N1 N 1.1828(3) 0.3923(3) 0.1188(3) 0.0384(13) Uani 1 1 d . . . . .
F42 F 0.4624(3) 0.4617(2) 0.9373(3) 0.0752(15) Uani 1 1 d . U . . .
C93 C 0.3956(3) 0.7377(3) 0.6526(2) 0.0154(8) Uani 1 1 d . . . . .
F17 F 0.8907(3) 0.5540(3) 0.4290(2) 0.0708(14) Uani 1 1 d . . . . .
C77 C 0.5888(3) 0.7571(3) 0.3374(2) 0.0152(8) Uani 1 1 d . . . . .
C14 C 1.2465(3) 0.0599(3) 0.2658(3) 0.0300(12) Uani 1 1 d . . . . .
H14 H 1.258721 0.095622 0.223818 0.036 Uiso 1 1 calc R U . . .
C27 C 0.7693(3) 0.1862(3) 0.8563(3) 0.0219(10) Uani 1 1 d . . . . .
C102 C 0.4013(3) 0.6060(3) 0.7957(2) 0.0185(9) Uani 1 1 d . . . . .
H102 H 0.405877 0.573934 0.763898 0.022 Uiso 1 1 calc R U . . .
F43 F 0.2292(3) 0.4392(2) 0.7235(3) 0.087(2) Uani 1 1 d . . . . .
N9 N 0.8889(3) 0.3789(3) 0.7073(3) 0.0365(12) Uani 1 1 d . . . . .
F16 F 0.8141(3) 0.5484(3) 0.5131(3) 0.0825(18) Uani 1 1 d . . . . .
C98 C 0.4578(3) 0.6844(3) 0.6241(2) 0.0184(9) Uani 1 1 d . . . . .
H98 H 0.454624 0.635344 0.628936 0.022 Uiso 1 1 calc R U . . .
C86 C 0.1855(3) 0.8044(3) 0.7489(2) 0.0164(9) Uani 1 1 d . . . . .
H86 H 0.194332 0.771588 0.793591 0.020 Uiso 1 1 calc R U . . .
C79 C 0.4624(3) 0.7793(3) 0.4033(2) 0.0178(9) Uani 1 1 d . . . . .
C82 C 0.5890(3) 0.6842(3) 0.3427(2) 0.0166(9) Uani 1 1 d . . . . .
H82 H 0.632041 0.650846 0.321563 0.020 Uiso 1 1 calc R U . . .
F31 F 0.5090(4) 0.9091(3) 0.6543(4) 0.115(3) Uani 1 1 d . . . . .
F44 F 0.1148(3) 0.5169(3) 0.7112(3) 0.0858(18) Uani 1 1 d . . . . .
C21 C 1.1277(4) 0.1760(3) 0.0458(3) 0.0308(12) Uani 1 1 d . . . . .
C85 C 0.2417(3) 0.7901(2) 0.6936(2) 0.0134(8) Uani 1 1 d . . . . .
F41 F 0.4805(4) 0.4579(2) 0.8331(3) 0.097(2) Uani 1 1 d . U . . .
C48 C 0.8696(3) 0.3314(3) 0.9691(3) 0.0265(11) Uani 1 1 d . . . . .
C94 C 0.4049(3) 0.8086(3) 0.6448(3) 0.0186(9) Uani 1 1 d . . . . .
H94 H 0.365444 0.845632 0.665162 0.022 Uiso 1 1 calc R U . . .
C105 C 0.3902(3) 0.6962(3) 0.8904(2) 0.0197(9) Uani 1 1 d . . . . .
C101 C 0.3553(3) 0.6814(3) 0.7773(2) 0.0154(8) Uani 1 1 d . . . . .
C110 C 0.2577(3) 0.6065(3) 0.7099(3) 0.0211(10) Uani 1 1 d . . . . .
H110 H 0.257863 0.600854 0.759525 0.025 Uiso 1 1 calc R U . . .
C28 C 0.7415(3) 0.0938(3) 0.9381(3) 0.0306(12) Uani 1 1 d . . . . .
H28 H 0.747545 0.052525 0.976473 0.037 Uiso 1 1 calc R U . . .
C91 C 0.0591(3) 0.8837(3) 0.7996(3) 0.0212(10) Uani 1 1 d . . . . .
C13 C 1.0673(4) 0.1182(3) 0.3712(3) 0.0305(12) Uani 1 1 d . . . . .
H13 H 1.028010 0.111781 0.406942 0.037 Uiso 1 1 calc R U . . .
F22 F 0.4750(3) 0.5606(3) 0.4210(4) 0.120(3) Uani 1 1 d . U . . .
C90 C 0.2231(3) 0.8395(3) 0.6284(2) 0.0162(9) Uani 1 1 d . . . . .
H90 H 0.259020 0.831121 0.589205 0.019 Uiso 1 1 calc R U . . .
N10 N 0.9556(3) 0.2724(3) 0.6835(3) 0.0364(12) Uani 1 1 d . . . . .
F18 F 0.9171(3) 0.5806(3) 0.5171(4) 0.105(2) Uani 1 1 d . . . . .
F40 F 0.5612(3) 0.4870(3) 0.8865(4) 0.112(2) Uani 1 1 d . U . . .
C104 C 0.4352(3) 0.6220(3) 0.9072(2) 0.0229(10) Uani 1 1 d . . . . .
H104 H 0.461911 0.602108 0.950260 0.028 Uiso 1 1 calc R U . . .
C97 C 0.5238(3) 0.7019(3) 0.5889(2) 0.0237(11) Uani 1 1 d . . . . .
C87 C 0.1167(3) 0.8660(3) 0.7398(2) 0.0174(9) Uani 1 1 d . . . . .
C81 C 0.5275(3) 0.6584(3) 0.3784(3) 0.0193(9) Uani 1 1 d . . . . .
C58 C 0.7943(3) 0.7216(3) 0.2300(3) 0.0239(10) Uani 1 1 d . . . . .
H58 H 0.825523 0.728369 0.263003 0.029 Uiso 1 1 calc R U . . .
C95 C 0.4702(3) 0.8263(3) 0.6081(3) 0.0253(11) Uani 1 1 d . . . . .
C80 C 0.4641(3) 0.7051(3) 0.4094(3) 0.0203(10) Uani 1 1 d . . . . .
H80 H 0.422605 0.687617 0.434232 0.024 Uiso 1 1 calc R U . . .
C114 C 0.2884(3) 0.6639(3) 0.5943(2) 0.0184(9) Uani 1 1 d . . . . .
H114 H 0.310865 0.698143 0.563348 0.022 Uiso 1 1 calc R U . . .
C111 C 0.2244(3) 0.5631(3) 0.6821(3) 0.0248(11) Uani 1 1 d . . . . .
F23 F 0.5342(5) 0.5632(3) 0.3201(3) 0.109(2) Uani 1 1 d . U . . .
C103 C 0.4402(3) 0.5770(3) 0.8588(3) 0.0223(10) Uani 1 1 d . . . . .
C37 C 0.8962(4) 0.3061(3) 0.7266(3) 0.0317(12) Uani 1 1 d . . . . .
C88 C 0.1000(3) 0.9145(3) 0.6752(2) 0.0200(9) Uani 1 1 d . . . . .
H88 H 0.053192 0.956222 0.669541 0.024 Uiso 1 1 calc R U . . .
C66 C 0.6958(3) 0.9124(3) 0.2609(3) 0.0223(10) Uani 1 1 d . . . . .
H66 H 0.742424 0.890926 0.287459 0.027 Uiso 1 1 calc R U . . .
C89 C 0.1540(3) 0.9000(3) 0.6192(2) 0.0188(9) Uani 1 1 d . . . . .
C36 C 0.6085(4) 0.3120(4) 0.8125(3) 0.0411(16) Uani 1 1 d . . . . .
H36A H 0.653328 0.330574 0.814133 0.062 Uiso 1 1 calc R U . . .
H36B H 0.580808 0.308016 0.858735 0.062 Uiso 1 1 calc R U . . .
H36C H 0.571657 0.346643 0.777130 0.062 Uiso 1 1 calc R U . . .
F33 F 0.5178(4) 0.9224(3) 0.5447(4) 0.107(2) Uani 1 1 d . . . . .
C113 C 0.2549(3) 0.6221(3) 0.5656(3) 0.0250(11) Uani 1 1 d . . . . .
B2 B 0.8286(3) 0.2972(3) 0.8769(3) 0.0189(10) Uani 1 1 d . . . . .
C12 C 1.1309(4) 0.0644(3) 0.3531(3) 0.0312(13) Uani 1 1 d . . . . .
H12 H 1.145279 0.012765 0.373785 0.037 Uiso 1 1 calc R U . . .
C83 C 0.3908(3) 0.8324(3) 0.4315(2) 0.0203(10) Uani 1 1 d . . . . .
C109 C 0.2909(3) 0.6581(3) 0.6667(2) 0.0178(9) Uani 1 1 d . . . . .
C106 C 0.3517(3) 0.7261(3) 0.8263(2) 0.0182(9) Uani 1 1 d . . . . .
H106 H 0.322484 0.777689 0.815665 0.022 Uiso 1 1 calc R U . . .
C30 C 0.8769(3) 0.1093(3) 0.9379(3) 0.0258(11) Uani 1 1 d . . . . .
H30 H 0.901023 0.148964 0.913940 0.031 Uiso 1 1 calc R U . . .
C26 C 1.0841(5) 0.1575(4) 0.0024(3) 0.0409(16) Uani 1 1 d . . . . .
H26 H 1.029005 0.163995 0.011857 0.049 Uiso 1 1 calc R U . . .
C96 C 0.5292(3) 0.7734(3) 0.5792(3) 0.0286(12) Uani 1 1 d . . . . .
H96 H 0.572929 0.785788 0.552988 0.034 Uiso 1 1 calc R U . . .
C108 C 0.3844(3) 0.7468(3) 0.9398(3) 0.0272(11) Uani 1 1 d . . . . .
C33 C 0.6394(3) 0.2354(3) 0.7929(3) 0.0286(12) Uani 1 1 d . . . . .
C7 C 1.3546(3) 0.2879(4) 0.2211(3) 0.0318(13) Uani 1 1 d . . . . .
C112 C 0.2229(3) 0.5697(3) 0.6098(3) 0.0266(11) Uani 1 1 d . . . . .
H112 H 0.200825 0.539656 0.590789 0.032 Uiso 1 1 calc R U . . .
C84 C 0.5314(3) 0.5790(3) 0.3826(3) 0.0323(12) Uani 1 1 d . U . . .
C22 C 1.2080(4) 0.1661(3) 0.0325(3) 0.0351(14) Uani 1 1 d . . . . .
C49 C 0.9110(4) 0.3422(4) 1.0200(3) 0.0410(15) Uani 1 1 d . . . . .
H49 H 0.967406 0.323554 1.020517 0.049 Uiso 1 1 calc R U . . .
C60 C 0.9205(3) 0.6671(4) 0.1659(4) 0.0378(15) Uani 1 1 d . . . . .
C57 C 0.8313(3) 0.6912(3) 0.1730(3) 0.0290(12) Uani 1 1 d . . . . .
C47 C 0.7869(4) 0.3594(3) 0.9693(3) 0.0301(12) Uani 1 1 d . . . . .
C92 C 0.1356(3) 0.9470(3) 0.5480(3) 0.0265(11) Uani 1 1 d . . . . .
C32 C 0.9271(4) 0.0371(4) 0.9163(4) 0.0435(16) Uani 1 1 d . . . . .
H32A H 0.982133 0.025326 0.929567 0.065 Uiso 1 1 calc R U . . .
H32B H 0.925706 0.042705 0.865188 0.065 Uiso 1 1 calc R U . . .
H32C H 0.905974 -0.003426 0.940123 0.065 Uiso 1 1 calc R U . . .
C8 C 1.3163(3) 0.2729(4) 0.2942(3) 0.0354(14) Uani 1 1 d . . . . .
H8A H 1.291862 0.320148 0.310171 0.053 Uiso 1 1 calc R U . . .
H8B H 1.356890 0.239533 0.326987 0.053 Uiso 1 1 calc R U . . .
H8C H 1.275355 0.249467 0.292612 0.053 Uiso 1 1 calc R U . . .
C74 C 0.7687(3) 0.6884(3) 0.3937(3) 0.0281(12) Uani 1 1 d . . . . .
H74 H 0.773282 0.652224 0.366222 0.034 Uiso 1 1 calc R U . . .
C9 C 1.3895(4) 0.2170(4) 0.1942(4) 0.0486(18) Uani 1 1 d . . . . .
H9A H 1.347446 0.195258 0.191543 0.073 Uiso 1 1 calc R U . . .
H9B H 1.429891 0.181681 0.226195 0.073 Uiso 1 1 calc R U . . .
H9C H 1.414099 0.227648 0.147179 0.073 Uiso 1 1 calc R U . . .
C100 C 0.5910(3) 0.6415(4) 0.5641(3) 0.0337(14) Uani 1 1 d . . . . .
C29 C 0.6783(3) 0.1273(4) 0.8984(3) 0.0341(13) Uani 1 1 d . . . . .
H29 H 0.630268 0.114802 0.904047 0.041 Uiso 1 1 calc R U . . .
C70 C 0.7149(3) 0.8158(3) 0.4128(3) 0.0262(11) Uani 1 1 d . . . . .
H70 H 0.682521 0.866064 0.399259 0.031 Uiso 1 1 calc R U . . .
C4 C 1.1001(4) 0.4069(3) 0.0980(4) 0.0409(16) Uani 1 1 d . . . . .
H4 H 1.082937 0.362797 0.122143 0.049 Uiso 1 1 calc R U . . .
C34 C 0.6848(3) 0.2387(3) 0.7210(3) 0.0306(12) Uani 1 1 d . . . . .
H34A H 0.647340 0.265723 0.683516 0.046 Uiso 1 1 calc R U . . .
H34B H 0.711903 0.187843 0.713594 0.046 Uiso 1 1 calc R U . . .
H34C H 0.724236 0.264520 0.720059 0.046 Uiso 1 1 calc R U . . .
B1 B 1.1732(3) 0.2137(3) 0.1335(3) 0.0227(12) Uani 1 1 d . . . . .
C38 C 0.9434(4) 0.3918(4) 0.6533(3) 0.0463(17) Uani 1 1 d . . . . .
H38 H 0.949913 0.438667 0.631221 0.056 Uiso 1 1 calc R U . . .
C65 C 0.6815(3) 0.9847(3) 0.2182(3) 0.0306(12) Uani 1 1 d . . . . .
F9 F 0.4876(5) 1.0722(4) 0.0928(5) 0.073(3) Uani 0.696(9) 1 d . U P A 1
C44 C 0.9172(4) 0.1638(4) 0.6796(4) 0.0476(17) Uani 1 1 d . . . . .
H44A H 0.880364 0.171494 0.720385 0.071 Uiso 1 1 calc R U . . .
H44B H 0.937263 0.110489 0.678544 0.071 Uiso 1 1 calc R U . . .
H44C H 0.889294 0.191324 0.636311 0.071 Uiso 1 1 calc R U . . .
C16 C 1.3137(4) 0.0371(4) 0.3167(4) 0.0455(16) Uani 1 1 d . . . . .
H16A H 1.298726 0.009121 0.361674 0.068 Uiso 1 1 calc R U . . .
H16B H 1.323172 0.081855 0.324564 0.068 Uiso 1 1 calc R U . . .
H16C H 1.362180 0.005657 0.296741 0.068 Uiso 1 1 calc R U . . .
C62 C 0.5748(3) 0.9068(3) 0.2232(3) 0.0272(11) Uani 1 1 d . . . . .
H62 H 0.537241 0.880988 0.224638 0.033 Uiso 1 1 calc R U . . .
C17 C 1.0093(3) 0.2597(3) 0.3292(3) 0.0290(12) Uani 1 1 d . . . . .
C35 C 0.5721(3) 0.2042(4) 0.7894(4) 0.0424(16) Uani 1 1 d . . . . .
H35A H 0.542280 0.201764 0.834751 0.064 Uiso 1 1 calc R U . . .
H35B H 0.594088 0.153974 0.779126 0.064 Uiso 1 1 calc R U . . .
H35C H 0.536471 0.236645 0.752197 0.064 Uiso 1 1 calc R U . . .
C3 C 1.2954(4) 0.4083(4) 0.1295(3) 0.0472(18) Uani 1 1 d . . . . .
H3 H 1.338570 0.428123 0.124610 0.057 Uiso 1 1 calc R U . . .
C64 C 0.6148(4) 1.0176(3) 0.1771(3) 0.0338(13) Uani 1 1 d . . . . .
H64 H 0.605939 1.065727 0.147850 0.041 Uiso 1 1 calc R U . . .
C61 C 0.6427(3) 0.8722(3) 0.2646(3) 0.0234(10) Uani 1 1 d . . . . .
C63 C 0.5613(3) 0.9776(3) 0.1803(3) 0.0306(12) Uani 1 1 d . . . . .
C19 C 0.9729(3) 0.2921(3) 0.2579(3) 0.0325(13) Uani 1 1 d . . . . .
H19A H 0.932976 0.340651 0.258961 0.049 Uiso 1 1 calc R U . . .
H19B H 0.947537 0.258179 0.246490 0.049 Uiso 1 1 calc R U . . .
H19C H 1.014543 0.298376 0.222053 0.049 Uiso 1 1 calc R U . . .
C18 C 1.0509(4) 0.3110(4) 0.3469(4) 0.0392(15) Uani 1 1 d . . . . .
H18A H 1.089627 0.319721 0.308968 0.059 Uiso 1 1 calc R U . . .
H18B H 1.078303 0.287454 0.391150 0.059 Uiso 1 1 calc R U . . .
H18C H 1.011346 0.358651 0.351995 0.059 Uiso 1 1 calc R U . . .
C107 C 0.4882(4) 0.4970(3) 0.8763(4) 0.0402(14) Uani 1 1 d . U . . .
C50 C 0.8667(5) 0.3817(4) 1.0704(3) 0.0503(19) Uani 1 1 d . . . . .
H50 H 0.893585 0.388166 1.106860 0.060 Uiso 1 1 calc R U . . .
C115 C 0.1921(4) 0.5063(3) 0.7290(4) 0.0377(14) Uani 1 1 d . . . . .
B4 B 0.3209(3) 0.7163(3) 0.6984(3) 0.0132(9) Uani 1 1 d . . . . .
C2 C 1.2274(5) 0.4397(4) 0.0962(3) 0.0490(19) Uani 1 1 d . . . . .
H2 H 1.212731 0.485706 0.063257 0.059 Uiso 1 1 calc R U . . .
C10 C 1.4190(4) 0.3239(5) 0.2248(4) 0.0484(18) Uani 1 1 d . . . . .
H10A H 1.441967 0.336476 0.177523 0.073 Uiso 1 1 calc R U . . .
H10B H 1.460767 0.288775 0.255591 0.073 Uiso 1 1 calc R U . . .
H10C H 1.395233 0.369355 0.243842 0.073 Uiso 1 1 calc R U . . .
C40 C 0.8277(5) 0.4376(4) 0.7363(3) 0.0467(18) Uani 1 1 d . . . . .
H40 H 0.824677 0.419999 0.788463 0.056 Uiso 1 1 calc R U . . .
C25 C 1.1236(6) 0.1289(4) -0.0558(3) 0.061(2) Uani 1 1 d . . . . .
H25 H 1.094788 0.116240 -0.086897 0.073 Uiso 1 1 calc R U . . .
C53 C 0.7109(3) 0.7428(3) 0.2402(3) 0.0252(11) Uani 1 1 d . . . . .
F7 F 0.4893(6) 0.9636(4) 0.0946(5) 0.073(2) Uani 0.696(9) 1 d . U P A 1
C69 C 0.7202(3) 0.7640(3) 0.3713(3) 0.0252(11) Uani 1 1 d . . . . .
F10 F 0.8141(5) 0.9830(4) 0.2021(7) 0.067(3) Uani 0.591(9) 1 d . U P B 1
C56 C 0.7893(4) 0.6776(4) 0.1243(3) 0.0399(15) Uani 1 1 d . . . . .
H56 H 0.815855 0.655127 0.086122 0.048 Uiso 1 1 calc R U . . .
C72 C 0.8053(3) 0.7190(3) 0.4981(3) 0.0314(12) Uani 1 1 d . . . . .
H72 H 0.833445 0.704185 0.540340 0.038 Uiso 1 1 calc R U . . .
C73 C 0.8096(3) 0.6680(3) 0.4566(3) 0.0291(12) Uani 1 1 d . . . . .
C15 C 1.2383(4) -0.0057(4) 0.2402(4) 0.0516(18) Uani 1 1 d . . . . .
H15A H 1.286821 -0.027539 0.213430 0.077 Uiso 1 1 calc R U . . .
H15B H 1.192677 0.011400 0.209932 0.077 Uiso 1 1 calc R U . . .
H15C H 1.230278 -0.043339 0.280750 0.077 Uiso 1 1 calc R U . . .
C71 C 0.7584(3) 0.7927(3) 0.4758(3) 0.0312(12) Uani 1 1 d . . . . .
C68 C 0.7414(4) 1.0232(4) 0.2156(4) 0.0448(14) Uani 1 1 d . U . . .
C52 C 0.7433(4) 0.4006(4) 1.0179(3) 0.0429(17) Uani 1 1 d . . . . .
H52 H 0.687072 0.420895 1.016696 0.051 Uiso 1 1 calc R U . . .
C39 C 0.9848(5) 0.3257(4) 0.6384(4) 0.0513(19) Uani 1 1 d . . . . .
H39 H 1.026453 0.316442 0.603551 0.062 Uiso 1 1 calc R U . . .
C76 C 0.8578(4) 0.5879(4) 0.4798(3) 0.0401(15) Uani 1 1 d . . . . .
C31 C 0.8749(4) 0.1062(5) 1.0164(3) 0.0475(18) Uani 1 1 d . . . . .
H31A H 0.851108 0.067908 1.041506 0.071 Uiso 1 1 calc R U . . .
H31B H 0.843002 0.154808 1.026618 0.071 Uiso 1 1 calc R U . . .
H31C H 0.929151 0.093755 1.031768 0.071 Uiso 1 1 calc R U . . .
C43 C 0.9866(4) 0.1920(4) 0.6852(4) 0.0435(16) Uani 1 1 d . . . . .
C99 C 0.4752(4) 0.9035(4) 0.6014(4) 0.0431(17) Uani 1 1 d . . . . .
C54 C 0.6678(3) 0.7302(3) 0.1897(3) 0.0297(12) Uani 1 1 d . . . . .
H54 H 0.611417 0.743908 0.194395 0.036 Uiso 1 1 calc R U . . .
B3 B 0.6655(3) 0.7841(3) 0.3028(3) 0.0160(10) Uani 1 1 d . . . . .
C41 C 0.7490(5) 0.4496(4) 0.7095(5) 0.065(2) Uani 1 1 d . . . . .
H41A H 0.750738 0.464634 0.658072 0.097 Uiso 1 1 calc R U . . .
H41B H 0.709014 0.488850 0.729638 0.097 Uiso 1 1 calc R U . . .
H41C H 0.735064 0.403148 0.723105 0.097 Uiso 1 1 calc R U . . .
F8 F 0.4233(4) 1.0154(7) 0.1728(4) 0.087(3) Uani 0.696(9) 1 d . U P A 1
C67 C 0.4908(4) 1.0089(4) 0.1355(4) 0.0422(14) Uani 1 1 d . U . . .
C5 C 1.0441(5) 0.4741(5) 0.1237(4) 0.062(2) Uani 1 1 d . . . . .
H5A H 1.061704 0.517823 0.103923 0.093 Uiso 1 1 calc R U . . .
H5B H 1.043945 0.464756 0.175234 0.093 Uiso 1 1 calc R U . . .
H5C H 0.990290 0.483321 0.108679 0.093 Uiso 1 1 calc R U . . .
C20 C 0.9441(4) 0.2505(4) 0.3845(4) 0.0482(17) Uani 1 1 d . . . . .
H20A H 0.905243 0.299504 0.386264 0.072 Uiso 1 1 calc R U . . .
H20B H 0.967495 0.228219 0.430693 0.072 Uiso 1 1 calc R U . . .
H20C H 0.917500 0.218025 0.372248 0.072 Uiso 1 1 calc R U . . .
C45 C 1.0293(4) 0.1515(4) 0.7535(4) 0.0516(18) Uani 1 1 d . . . . .
H45A H 1.073263 0.170565 0.756724 0.077 Uiso 1 1 calc R U . . .
H45B H 1.050199 0.097850 0.753814 0.077 Uiso 1 1 calc R U . . .
H45C H 0.991804 0.159930 0.793701 0.077 Uiso 1 1 calc R U . . .
C6 C 1.0989(5) 0.4118(6) 0.0217(4) 0.071(3) Uani 1 1 d . . . . .
H6A H 1.044142 0.422574 0.008248 0.107 Uiso 1 1 calc R U . . .
H6B H 1.131789 0.364219 0.009699 0.107 Uiso 1 1 calc R U . . .
H6C H 1.120057 0.451764 -0.003744 0.107 Uiso 1 1 calc R U . . .
C55 C 0.7069(4) 0.6980(4) 0.1334(3) 0.0382(14) Uani 1 1 d . . . . .
C23 C 1.2479(5) 0.1365(4) -0.0251(4) 0.055(2) Uani 1 1 d . . . . .
H23 H 1.303231 0.128801 -0.034317 0.067 Uiso 1 1 calc R U . . .
F12 F 0.7286(5) 1.0868(4) 0.1670(5) 0.071(3) Uani 0.591(9) 1 d . U P B 1
C24 C 1.2023(6) 0.1189(4) -0.0686(4) 0.059(2) Uani 1 1 d . . . . .
H24 H 1.227451 0.099106 -0.108669 0.071 Uiso 1 1 calc R U . . .
F11 F 0.7457(7) 1.0466(8) 0.2746(5) 0.083(3) Uani 0.591(9) 1 d . U P B 1
C51 C 0.7862(5) 0.4111(4) 1.0690(3) 0.050(2) Uani 1 1 d . . . . .
H51 H 0.758524 0.439281 1.103221 0.060 Uiso 1 1 calc R U . . .
C42 C 0.8492(6) 0.5098(4) 0.7223(4) 0.067(2) Uani 1 1 d . . . . .
H42A H 0.902889 0.499271 0.738368 0.100 Uiso 1 1 calc R U . . .
H42B H 0.811093 0.545338 0.747905 0.100 Uiso 1 1 calc R U . . .
H42C H 0.847576 0.531148 0.671736 0.100 Uiso 1 1 calc R U . . .
C46 C 1.0458(6) 0.1763(5) 0.6231(5) 0.081(3) Uani 1 1 d . . . . .
H46A H 1.017448 0.194852 0.579002 0.121 Uiso 1 1 calc R U . . .
H46B H 1.072134 0.122428 0.628721 0.121 Uiso 1 1 calc R U . . .
H46C H 1.085786 0.201614 0.621791 0.121 Uiso 1 1 calc R U . . .
C59 C 0.6598(5) 0.6894(6) 0.0797(5) 0.0818(16) Uani 1 1 d D U . . .
F3 F 0.5983(7) 0.6673(7) 0.1071(7) 0.0823(17) Uani 0.530(6) 1 d D U P C 1
F2 F 0.6979(6) 0.6610(8) 0.0276(5) 0.0837(17) Uani 0.530(6) 1 d D U P C 1
F1 F 0.6153(6) 0.7595(7) 0.0411(5) 0.0839(17) Uani 0.530(6) 1 d D U P C 1
C75 C 0.7524(4) 0.8502(4) 0.5179(3) 0.0470(13) Uani 1 1 d D U . . .
F14 F 0.6788(5) 0.8736(6) 0.5437(5) 0.063(2) Uani 0.473(7) 1 d D U P D 1
F15 F 0.7701(8) 0.9082(6) 0.4808(5) 0.069(2) Uani 0.473(7) 1 d D U P D 1
F13 F 0.7978(6) 0.8253(6) 0.5725(5) 0.063(2) Uani 0.473(7) 1 d D U P D 1
C116 C 0.2495(3) 0.6324(4) 0.4884(3) 0.0384(13) Uani 1 1 d D U . . .
F46 F 0.1766(4) 0.6495(6) 0.4688(3) 0.070(3) Uani 0.695(9) 1 d D U P E 1
F48 F 0.2888(6) 0.5695(5) 0.4654(4) 0.091(3) Uani 0.695(9) 1 d D U P E 1
F47 F 0.2770(5) 0.6842(5) 0.4506(3) 0.061(2) Uani 0.695(9) 1 d D U P E 1
F11A F 0.7957(10) 1.0095(10) 0.1672(8) 0.075(3) Uani 0.409(9) 1 d . U P B 2
F12A F 0.7905(8) 0.9968(7) 0.2706(7) 0.056(3) Uani 0.409(9) 1 d . U P B 2
F10A F 0.7070(8) 1.0899(6) 0.2319(10) 0.071(3) Uani 0.409(9) 1 d . U P B 2
F3A F 0.6648(8) 0.7192(9) 0.0174(6) 0.0839(17) Uani 0.470(6) 1 d . U P C 2
F2A F 0.5813(9) 0.7000(9) 0.0935(8) 0.0833(17) Uani 0.470(6) 1 d . U P C 2
F1A F 0.6856(6) 0.6075(8) 0.0792(6) 0.0835(17) Uani 0.470(6) 1 d . U P C 2
F13A F 0.7033(6) 0.9156(6) 0.5013(5) 0.070(2) Uani 0.527(7) 1 d . U P D 2
F14A F 0.8228(6) 0.8643(6) 0.5084(5) 0.065(2) Uani 0.527(7) 1 d . U P D 2
F15A F 0.7514(8) 0.8238(7) 0.5852(5) 0.077(2) Uani 0.527(7) 1 d . U P D 2
F7A F 0.4412(12) 1.0678(11) 0.1499(12) 0.087(5) Uani 0.304(9) 1 d . U P A 2
F8A F 0.5219(10) 1.0245(11) 0.0660(9) 0.068(4) Uani 0.304(9) 1 d . U P A 2
F9A F 0.4496(12) 0.9693(12) 0.1323(13) 0.073(4) Uani 0.304(9) 1 d . U P A 2
F46A F 0.3152(10) 0.6206(13) 0.4568(8) 0.063(4) Uani 0.305(9) 1 d . U P E 2
F48A F 0.2134(14) 0.7059(11) 0.4623(8) 0.081(4) Uani 0.305(9) 1 d . U P E 2
F47A F 0.2112(13) 0.5978(13) 0.4689(9) 0.067(4) Uani 0.305(9) 1 d . U P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C11 2.016(5) . ?
Pt1 C1 2.015(5) . ?
Pt1 B1 1.988(6) . ?
Pt2 C27 2.015(5) . ?
Pt2 C37 2.038(6) . ?
Pt2 B2 1.995(6) . ?
F19 C83 1.323(6) . ?
F21 C83 1.348(5) . ?
F20 C83 1.341(6) . ?
F26 C91 1.339(6) . ?
F27 C91 1.355(6) . ?
F30 C92 1.323(6) . ?
F25 C91 1.334(6) . ?
F34 C100 1.325(8) . ?
F28 C92 1.328(6) . ?
F5 C60 1.339(7) . ?
F36 C100 1.328(6) . ?
F35 C100 1.335(6) . ?
F45 C115 1.302(8) . ?
F29 C92 1.337(7) . ?
N5 H5 0.8800 . ?
N5 C21 1.394(7) . ?
N5 B1 1.433(7) . ?
N12 H12A 0.8800 . ?
N12 C48 1.399(7) . ?
N12 B2 1.426(7) . ?
F4 C60 1.324(7) . ?
F6 C60 1.322(8) . ?
N4 C11 1.363(6) . ?
N4 C13 1.380(7) . ?
N4 C17 1.503(7) . ?
F38 C108 1.301(7) . ?
N7 C27 1.355(6) . ?
N7 C28 1.382(7) . ?
N7 C30 1.460(6) . ?
N3 C11 1.352(6) . ?
N3 C14 1.462(7) . ?
N3 C12 1.381(7) . ?
F24 C84 1.303(7) . ?
F39 C108 1.299(7) . ?
F37 C108 1.328(6) . ?
N8 C27 1.371(6) . ?
N8 C33 1.497(6) . ?
N8 C29 1.378(8) . ?
N2 C1 1.351(6) . ?
N2 C7 1.496(7) . ?
N2 C3 1.393(8) . ?
N11 H11 0.8800 . ?
N11 B2 1.430(7) . ?
N11 C47 1.394(7) . ?
F32 C99 1.292(8) . ?
C1 N1 1.344(7) . ?
C78 H78 0.9500 . ?
C78 C77 1.394(6) . ?
C78 C79 1.380(7) . ?
N6 H6 0.8800 . ?
N6 C22 1.395(8) . ?
N6 B1 1.424(7) . ?
N1 C4 1.489(7) . ?
N1 C2 1.369(8) . ?
F42 C107 1.345(8) . ?
C93 C98 1.408(6) . ?
C93 C94 1.405(6) . ?
C93 B4 1.633(7) . ?
F17 C76 1.292(8) . ?
C77 C82 1.389(6) . ?
C77 B3 1.641(7) . ?
C14 H14 1.0000 . ?
C14 C16 1.526(8) . ?
C14 C15 1.514(9) . ?
C102 H102 0.9500 . ?
C102 C101 1.407(6) . ?
C102 C103 1.390(6) . ?
F43 C115 1.273(7) . ?
N9 C37 1.341(7) . ?
N9 C38 1.389(8) . ?
N9 C40 1.465(8) . ?
F16 C76 1.289(8) . ?
C98 H98 0.9500 . ?
C98 C97 1.394(7) . ?
C86 H86 0.9500 . ?
C86 C85 1.399(6) . ?
C86 C87 1.399(6) . ?
C79 C80 1.404(7) . ?
C79 C83 1.495(7) . ?
C82 H82 0.9500 . ?
C82 C81 1.401(6) . ?
F31 C99 1.291(8) . ?
F44 C115 1.394(9) . ?
C21 C26 1.379(8) . ?
C21 C22 1.382(9) . ?
C85 C90 1.407(6) . ?
C85 B4 1.642(7) . ?
F41 C107 1.295(8) . ?
C48 C49 1.385(8) . ?
C48 C47 1.393(8) . ?
C94 H94 0.9500 . ?
C94 C95 1.395(7) . ?
C105 C104 1.383(7) . ?
C105 C106 1.404(6) . ?
C105 C108 1.494(7) . ?
C101 C106 1.407(7) . ?
C101 B4 1.634(6) . ?
C110 H110 0.9500 . ?
C110 C111 1.395(7) . ?
C110 C109 1.395(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.332(8) . ?
C91 C87 1.491(6) . ?
C13 H13 0.9500 . ?
C13 C12 1.342(8) . ?
F22 C84 1.281(7) . ?
C90 H90 0.9500 . ?
C90 C89 1.391(6) . ?
N10 C37 1.360(8) . ?
N10 C39 1.395(8) . ?
N10 C43 1.466(8) . ?
F18 C76 1.298(8) . ?
F40 C107 1.280(8) . ?
C104 H104 0.9500 . ?
C104 C103 1.397(7) . ?
C97 C96 1.386(8) . ?
C97 C100 1.501(8) . ?
C87 C88 1.387(6) . ?
C81 C80 1.375(7) . ?
C81 C84 1.497(7) . ?
C58 H58 0.9500 . ?
C58 C57 1.379(8) . ?
C58 C53 1.409(7) . ?
C95 C96 1.379(8) . ?
C95 C99 1.499(8) . ?
C80 H80 0.9500 . ?
C114 H114 0.9500 . ?
C114 C113 1.381(7) . ?
C114 C109 1.396(6) . ?
C111 C112 1.390(8) . ?
C111 C115 1.489(7) . ?
F23 C84 1.313(8) . ?
C103 C107 1.486(7) . ?
C88 H88 0.9500 . ?
C88 C89 1.389(7) . ?
C66 H66 0.9500 . ?
C66 C65 1.417(7) . ?
C66 C61 1.390(7) . ?
C89 C92 1.484(7) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 C33 1.523(8) . ?
F33 C99 1.321(8) . ?
C113 C112 1.404(7) . ?
C113 C116 1.483(7) . ?
C12 H12 0.9500 . ?
C109 B4 1.644(7) . ?
C106 H106 0.9500 . ?
C30 H30 1.0000 . ?
C30 C32 1.516(8) . ?
C30 C31 1.514(8) . ?
C26 H26 0.9500 . ?
C26 C25 1.395(10) . ?
C96 H96 0.9500 . ?
C33 C34 1.540(8) . ?
C33 C35 1.518(8) . ?
C7 C8 1.521(8) . ?
C7 C9 1.496(10) . ?
C7 C10 1.536(8) . ?
C112 H112 0.9500 . ?
C22 C23 1.395(9) . ?
C49 H49 0.9500 . ?
C49 C50 1.396(10) . ?
C60 C57 1.502(8) . ?
C57 C56 1.384(8) . ?
C47 C52 1.383(8) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C74 H74 0.9500 . ?
C74 C69 1.432(8) . ?
C74 C73 1.406(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C29 H29 0.9500 . ?
C70 H70 0.9500 . ?
C70 C69 1.397(8) . ?
C70 C71 1.429(8) . ?
C4 H4 1.0000 . ?
C4 C5 1.509(10) . ?
C4 C6 1.472(10) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C38 H38 0.9500 . ?
C38 C39 1.331(10) . ?
C65 C64 1.395(8) . ?
C65 C68 1.474(8) . ?
F9 C67 1.304(8) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C44 C43 1.524(10) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C62 H62 0.9500 . ?
C62 C61 1.415(7) . ?
C62 C63 1.395(7) . ?
C17 C19 1.513(8) . ?
C17 C18 1.526(8) . ?
C17 C20 1.522(8) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C2 1.331(9) . ?
C64 H64 0.9500 . ?
C64 C63 1.396(8) . ?
C61 B3 1.634(7) . ?
C63 C67 1.487(8) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C50 H50 0.9500 . ?
C50 C51 1.358(11) . ?
C2 H2 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C40 H40 1.0000 . ?
C40 C41 1.476(11) . ?
C40 C42 1.523(10) . ?
C25 H25 0.9500 . ?
C25 C24 1.353(12) . ?
C53 C54 1.417(7) . ?
C53 B3 1.609(7) . ?
F7 C67 1.318(10) . ?
C69 B3 1.639(7) . ?
F10 C68 1.309(11) . ?
C56 H56 0.9500 . ?
C56 C55 1.392(8) . ?
C72 H72 0.9500 . ?
C72 C73 1.389(8) . ?
C72 C71 1.395(8) . ?
C73 C76 1.500(8) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C71 C75 1.496(9) . ?
C68 F12 1.343(9) . ?
C68 F11 1.345(12) . ?
C68 F11A 1.281(16) . ?
C68 F12A 1.358(13) . ?
C68 F10A 1.331(13) . ?
C52 H52 0.9500 . ?
C52 C51 1.404(10) . ?
C39 H39 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C43 C45 1.526(10) . ?
C43 C46 1.533(9) . ?
C54 H54 0.9500 . ?
C54 C55 1.393(8) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
F8 C67 1.320(10) . ?
C67 F7A 1.262(18) . ?
C67 F8A 1.413(18) . ?
C67 F9A 1.234(19) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C55 C59 1.476(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.397(12) . ?
C24 H24 0.9500 . ?
C51 H51 0.9500 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C59 F3 1.319(12) . ?
C59 F2 1.287(11) . ?
C59 F1 1.417(12) . ?
C59 F3A 1.230(16) . ?
C59 F2A 1.350(18) . ?
C59 F1A 1.502(16) . ?
C75 F14 1.323(9) . ?
C75 F15 1.301(9) . ?
C75 F13 1.310(9) . ?
C75 F13A 1.276(12) . ?
C75 F14A 1.350(11) . ?
C75 F15A 1.297(12) . ?
C116 F46 1.308(7) . ?
C116 F48 1.340(8) . ?
C116 F47 1.302(7) . ?
C116 F46A 1.237(16) . ?
C116 F48A 1.360(19) . ?
C116 F47A 1.232(16) . ?

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
C1 Pt1 C11 173.5(2) . . ?
B1 Pt1 C11 93.6(2) . . ?
B1 Pt1 C1 92.9(2) . . ?
C27 Pt2 C37 173.5(2) . . ?
B2 Pt2 C27 88.4(2) . . ?
B2 Pt2 C37 97.6(2) . . ?
C21 N5 H5 125.2 . . ?
C21 N5 B1 109.7(5) . . ?
B1 N5 H5 125.2 . . ?
C48 N12 H12A 125.2 . . ?
C48 N12 B2 109.6(4) . . ?
B2 N12 H12A 125.2 . . ?
C11 N4 C13 110.4(4) . . ?
C11 N4 C17 124.2(4) . . ?
C13 N4 C17 125.4(5) . . ?
C27 N7 C28 111.2(4) . . ?
C27 N7 C30 123.7(5) . . ?
C28 N7 C30 124.9(4) . . ?
C11 N3 C14 124.7(4) . . ?
C11 N3 C12 110.8(5) . . ?
C12 N3 C14 124.4(5) . . ?
C27 N8 C33 124.5(5) . . ?
C27 N8 C29 110.0(4) . . ?
C29 N8 C33 125.4(5) . . ?
C1 N2 C7 124.1(4) . . ?
C1 N2 C3 108.9(5) . . ?
C3 N2 C7 126.9(5) . . ?
B2 N11 H11 125.1 . . ?
C47 N11 H11 125.1 . . ?
C47 N11 B2 109.8(5) . . ?
N4 C11 Pt1 127.7(4) . . ?
N3 C11 Pt1 127.0(4) . . ?
N3 C11 N4 104.7(4) . . ?
N2 C1 Pt1 127.9(4) . . ?
N1 C1 Pt1 126.5(4) . . ?
N1 C1 N2 105.4(5) . . ?
C77 C78 H78 119.0 . . ?
C79 C78 H78 119.0 . . ?
C79 C78 C77 122.0(5) . . ?
C22 N6 H6 125.4 . . ?
C22 N6 B1 109.2(5) . . ?
B1 N6 H6 125.4 . . ?
C1 N1 C4 123.6(5) . . ?
C1 N1 C2 111.4(5) . . ?
C2 N1 C4 125.0(5) . . ?
C98 C93 B4 121.8(4) . . ?
C94 C93 C98 116.3(4) . . ?
C94 C93 B4 121.7(4) . . ?
C78 C77 B3 121.8(4) . . ?
C82 C77 C78 116.7(4) . . ?
C82 C77 B3 121.3(4) . . ?
N3 C14 H14 107.9 . . ?
N3 C14 C16 109.9(5) . . ?
N3 C14 C15 110.4(5) . . ?
C16 C14 H14 107.9 . . ?
C15 C14 H14 107.9 . . ?
C15 C14 C16 112.7(5) . . ?
N7 C27 Pt2 126.6(4) . . ?
N7 C27 N8 104.2(5) . . ?
N8 C27 Pt2 129.0(4) . . ?
C101 C102 H102 119.0 . . ?
C103 C102 H102 119.0 . . ?
C103 C102 C101 122.0(5) . . ?
C37 N9 C38 111.2(5) . . ?
C37 N9 C40 124.2(5) . . ?
C38 N9 C40 124.5(5) . . ?
C93 C98 H98 119.3 . . ?
C97 C98 C93 121.4(5) . . ?
C97 C98 H98 119.3 . . ?
C85 C86 H86 119.3 . . ?
C87 C86 H86 119.3 . . ?
C87 C86 C85 121.3(4) . . ?
C78 C79 C80 120.7(4) . . ?
C78 C79 C83 120.5(4) . . ?
C80 C79 C83 118.7(4) . . ?
C77 C82 H82 119.1 . . ?
C77 C82 C81 121.8(4) . . ?
C81 C82 H82 119.1 . . ?
C26 C21 N5 131.0(6) . . ?
C26 C21 C22 121.2(6) . . ?
C22 C21 N5 107.8(5) . . ?
C86 C85 C90 116.0(4) . . ?
C86 C85 B4 124.4(4) . . ?
C90 C85 B4 119.2(4) . . ?
C49 C48 N12 131.6(6) . . ?
C49 C48 C47 120.3(6) . . ?
C47 C48 N12 108.1(5) . . ?
C93 C94 H94 119.0 . . ?
C95 C94 C93 121.9(5) . . ?
C95 C94 H94 119.0 . . ?
C104 C105 C106 121.2(5) . . ?
C104 C105 C108 119.9(4) . . ?
C106 C105 C108 118.9(4) . . ?
C102 C101 B4 120.6(4) . . ?
C106 C101 C102 116.2(4) . . ?
C106 C101 B4 122.5(4) . . ?
C111 C110 H110 119.1 . . ?
C111 C110 C109 121.9(5) . . ?
C109 C110 H110 119.1 . . ?
N7 C28 H28 126.7 . . ?
C29 C28 N7 106.6(5) . . ?
C29 C28 H28 126.7 . . ?
F26 C91 F27 105.8(4) . . ?
F26 C91 C87 112.8(4) . . ?
F27 C91 C87 112.5(4) . . ?
F25 C91 F26 105.7(4) . . ?
F25 C91 F27 105.8(4) . . ?
F25 C91 C87 113.5(4) . . ?
N4 C13 H13 126.4 . . ?
C12 C13 N4 107.1(5) . . ?
C12 C13 H13 126.4 . . ?
C85 C90 H90 118.8 . . ?
C89 C90 C85 122.5(4) . . ?
C89 C90 H90 118.8 . . ?
C37 N10 C39 109.9(5) . . ?
C37 N10 C43 125.6(5) . . ?
C39 N10 C43 124.4(5) . . ?
C105 C104 H104 121.0 . . ?
C105 C104 C103 117.9(4) . . ?
C103 C104 H104 121.0 . . ?
C98 C97 C100 119.2(5) . . ?
C96 C97 C98 120.8(5) . . ?
C96 C97 C100 119.9(5) . . ?
C86 C87 C91 121.4(4) . . ?
C88 C87 C86 121.6(4) . . ?
C88 C87 C91 116.9(4) . . ?
C82 C81 C84 119.3(4) . . ?
C80 C81 C82 120.7(4) . . ?
C80 C81 C84 120.0(4) . . ?
C57 C58 H58 119.4 . . ?
C57 C58 C53 121.1(5) . . ?
C53 C58 H58 119.4 . . ?
C94 C95 C99 118.7(5) . . ?
C96 C95 C94 120.4(5) . . ?
C96 C95 C99 120.8(5) . . ?
C79 C80 H80 121.0 . . ?
C81 C80 C79 118.0(4) . . ?
C81 C80 H80 121.0 . . ?
C113 C114 H114 118.4 . . ?
C113 C114 C109 123.1(5) . . ?
C109 C114 H114 118.4 . . ?
C110 C111 C115 121.0(5) . . ?
C112 C111 C110 121.0(5) . . ?
C112 C111 C115 117.9(5) . . ?
C102 C103 C104 121.1(4) . . ?
C102 C103 C107 120.5(5) . . ?
C104 C103 C107 118.4(5) . . ?
N9 C37 Pt2 131.7(5) . . ?
N9 C37 N10 105.0(5) . . ?
N10 C37 Pt2 123.0(4) . . ?
C87 C88 H88 121.1 . . ?
C87 C88 C89 117.9(4) . . ?
C89 C88 H88 121.1 . . ?
C65 C66 H66 119.4 . . ?
C61 C66 H66 119.4 . . ?
C61 C66 C65 121.1(5) . . ?
C90 C89 C92 119.6(4) . . ?
C88 C89 C90 120.6(4) . . ?
C88 C89 C92 119.7(4) . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
C114 C113 C112 120.0(5) . . ?
C114 C113 C116 121.8(5) . . ?
C112 C113 C116 118.1(5) . . ?
N12 B2 Pt2 126.8(4) . . ?
N12 B2 N11 104.5(4) . . ?
N11 B2 Pt2 128.7(4) . . ?
N3 C12 H12 126.5 . . ?
C13 C12 N3 106.9(5) . . ?
C13 C12 H12 126.5 . . ?
F19 C83 F21 105.9(4) . . ?
F19 C83 F20 106.8(4) . . ?
F19 C83 C79 113.2(4) . . ?
F21 C83 C79 111.6(4) . . ?
F20 C83 F21 105.9(4) . . ?
F20 C83 C79 112.8(4) . . ?
C110 C109 B4 122.2(4) . . ?
C114 C109 C110 116.1(5) . . ?
C114 C109 B4 121.3(4) . . ?
C105 C106 C101 121.5(4) . . ?
C105 C106 H106 119.2 . . ?
C101 C106 H106 119.2 . . ?
N7 C30 H30 107.4 . . ?
N7 C30 C32 109.7(5) . . ?
N7 C30 C31 111.1(5) . . ?
C32 C30 H30 107.4 . . ?
C31 C30 H30 107.4 . . ?
C31 C30 C32 113.6(5) . . ?
C21 C26 H26 121.1 . . ?
C21 C26 C25 117.9(7) . . ?
C25 C26 H26 121.1 . . ?
C97 C96 H96 120.5 . . ?
C95 C96 C97 119.0(5) . . ?
C95 C96 H96 120.5 . . ?
F38 C108 F37 103.8(5) . . ?
F38 C108 C105 112.6(4) . . ?
F39 C108 F38 106.4(6) . . ?
F39 C108 F37 107.5(5) . . ?
F39 C108 C105 113.3(5) . . ?
F37 C108 C105 112.6(5) . . ?
N8 C33 C36 108.6(4) . . ?
N8 C33 C34 108.5(4) . . ?
N8 C33 C35 108.6(5) . . ?
C36 C33 C34 111.3(5) . . ?
C35 C33 C36 111.5(5) . . ?
C35 C33 C34 108.2(5) . . ?
N2 C7 C8 108.6(4) . . ?
N2 C7 C9 109.4(5) . . ?
N2 C7 C10 108.9(5) . . ?
C8 C7 C10 108.7(5) . . ?
C9 C7 C8 110.6(5) . . ?
C9 C7 C10 110.7(5) . . ?
C111 C112 C113 117.9(5) . . ?
C111 C112 H112 121.0 . . ?
C113 C112 H112 121.0 . . ?
F24 C84 C81 113.0(5) . . ?
F24 C84 F23 103.1(6) . . ?
F22 C84 F24 104.3(6) . . ?
F22 C84 C81 113.4(5) . . ?
F22 C84 F23 110.1(6) . . ?
F23 C84 C81 112.2(5) . . ?
C21 C22 N6 108.9(5) . . ?
C21 C22 C23 121.0(7) . . ?
C23 C22 N6 130.1(7) . . ?
C48 C49 H49 121.3 . . ?
C48 C49 C50 117.4(7) . . ?
C50 C49 H49 121.3 . . ?
F5 C60 C57 111.4(5) . . ?
F4 C60 F5 105.6(5) . . ?
F4 C60 C57 113.4(5) . . ?
F6 C60 F5 106.5(6) . . ?
F6 C60 F4 107.2(5) . . ?
F6 C60 C57 112.2(5) . . ?
C58 C57 C60 119.0(5) . . ?
C58 C57 C56 122.2(5) . . ?
C56 C57 C60 118.7(5) . . ?
C48 C47 N11 107.9(5) . . ?
C52 C47 N11 129.9(6) . . ?
C52 C47 C48 122.1(6) . . ?
F30 C92 F28 106.9(5) . . ?
F30 C92 F29 104.9(5) . . ?
F30 C92 C89 113.2(4) . . ?
F28 C92 F29 104.9(5) . . ?
F28 C92 C89 113.3(5) . . ?
F29 C92 C89 112.9(5) . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C69 C74 H74 120.3 . . ?
C73 C74 H74 120.3 . . ?
C73 C74 C69 119.5(6) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
F34 C100 F36 106.8(5) . . ?
F34 C100 F35 107.3(5) . . ?
F34 C100 C97 113.3(5) . . ?
F36 C100 F35 106.1(5) . . ?
F36 C100 C97 112.0(5) . . ?
F35 C100 C97 110.9(5) . . ?
N8 C29 H29 126.0 . . ?
C28 C29 N8 108.0(5) . . ?
C28 C29 H29 126.0 . . ?
C69 C70 H70 120.2 . . ?
C69 C70 C71 119.7(5) . . ?
C71 C70 H70 120.2 . . ?
N1 C4 H4 107.2 . . ?
N1 C4 C5 110.8(5) . . ?
C5 C4 H4 107.2 . . ?
C6 C4 N1 110.0(6) . . ?
C6 C4 H4 107.2 . . ?
C6 C4 C5 114.1(6) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N5 B1 Pt1 127.7(4) . . ?
N6 B1 Pt1 127.8(4) . . ?
N6 B1 N5 104.4(5) . . ?
N9 C38 H38 126.7 . . ?
C39 C38 N9 106.7(6) . . ?
C39 C38 H38 126.7 . . ?
C66 C65 C68 118.1(5) . . ?
C64 C65 C66 121.3(5) . . ?
C64 C65 C68 120.5(6) . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C61 C62 H62 118.9 . . ?
C63 C62 H62 118.9 . . ?
C63 C62 C61 122.2(5) . . ?
N4 C17 C19 109.5(5) . . ?
N4 C17 C18 108.6(5) . . ?
N4 C17 C20 109.2(5) . . ?
C19 C17 C18 110.1(5) . . ?
C19 C17 C20 109.0(5) . . ?
C20 C17 C18 110.3(5) . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N2 C3 H3 126.0 . . ?
C2 C3 N2 107.9(5) . . ?
C2 C3 H3 126.0 . . ?
C65 C64 H64 121.1 . . ?
C65 C64 C63 117.9(5) . . ?
C63 C64 H64 121.1 . . ?
C66 C61 C62 116.8(5) . . ?
C66 C61 B3 121.3(5) . . ?
C62 C61 B3 120.9(4) . . ?
C62 C63 C64 120.7(5) . . ?
C62 C63 C67 119.3(5) . . ?
C64 C63 C67 120.0(5) . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
F42 C107 C103 111.7(6) . . ?
F41 C107 F42 100.8(6) . . ?
F41 C107 C103 113.7(5) . . ?
F40 C107 F42 103.8(6) . . ?
F40 C107 F41 112.2(7) . . ?
F40 C107 C103 113.5(6) . . ?
C49 C50 H50 118.9 . . ?
C51 C50 C49 122.1(6) . . ?
C51 C50 H50 118.9 . . ?
F45 C115 F44 100.7(6) . . ?
F45 C115 C111 114.7(5) . . ?
F43 C115 F45 111.4(6) . . ?
F43 C115 F44 104.0(6) . . ?
F43 C115 C111 114.5(5) . . ?
F44 C115 C111 110.0(5) . . ?
C93 B4 C85 110.7(3) . . ?
C93 B4 C101 103.2(3) . . ?
C93 B4 C109 113.0(4) . . ?
C85 B4 C109 102.9(3) . . ?
C101 B4 C85 114.5(4) . . ?
C101 B4 C109 112.9(4) . . ?
N1 C2 H2 126.8 . . ?
C3 C2 N1 106.3(5) . . ?
C3 C2 H2 126.8 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N9 C40 H40 107.4 . . ?
N9 C40 C41 110.8(6) . . ?
N9 C40 C42 111.7(6) . . ?
C41 C40 H40 107.4 . . ?
C41 C40 C42 111.7(6) . . ?
C42 C40 H40 107.4 . . ?
C26 C25 H25 119.6 . . ?
C24 C25 C26 120.9(7) . . ?
C24 C25 H25 119.6 . . ?
C58 C53 C54 116.7(5) . . ?
C58 C53 B3 122.3(5) . . ?
C54 C53 B3 120.8(5) . . ?
C74 C69 B3 118.4(5) . . ?
C70 C69 C74 118.8(5) . . ?
C70 C69 B3 122.4(5) . . ?
C57 C56 H56 121.2 . . ?
C57 C56 C55 117.7(6) . . ?
C55 C56 H56 121.2 . . ?
C73 C72 H72 121.0 . . ?
C73 C72 C71 118.0(5) . . ?
C71 C72 H72 121.0 . . ?
C74 C73 C76 118.2(5) . . ?
C72 C73 C74 122.3(5) . . ?
C72 C73 C76 119.4(5) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C70 C71 C75 118.0(6) . . ?
C72 C71 C70 121.7(5) . . ?
C72 C71 C75 120.3(5) . . ?
F10 C68 C65 114.0(7) . . ?
F10 C68 F12 105.2(8) . . ?
F10 C68 F11 104.9(9) . . ?
F12 C68 C65 114.1(7) . . ?
F12 C68 F11 101.8(8) . . ?
F11 C68 C65 115.5(7) . . ?
F11A C68 C65 113.5(9) . . ?
F11A C68 F12A 96.5(11) . . ?
F11A C68 F10A 124.8(11) . . ?
F12A C68 C65 114.6(7) . . ?
F10A C68 C65 109.9(8) . . ?
F10A C68 F12A 94.8(10) . . ?
C47 C52 H52 121.6 . . ?
C47 C52 C51 116.8(7) . . ?
C51 C52 H52 121.6 . . ?
N10 C39 H39 126.4 . . ?
C38 C39 N10 107.2(6) . . ?
C38 C39 H39 126.4 . . ?
F17 C76 F18 103.9(6) . . ?
F17 C76 C73 114.6(5) . . ?
F16 C76 F17 103.2(6) . . ?
F16 C76 F18 110.9(6) . . ?
F16 C76 C73 111.5(6) . . ?
F18 C76 C73 112.2(6) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N10 C43 C44 108.5(6) . . ?
N10 C43 C45 110.1(6) . . ?
N10 C43 C46 110.3(6) . . ?
C44 C43 C46 109.1(7) . . ?
C45 C43 C44 110.3(6) . . ?
C45 C43 C46 108.5(7) . . ?
F32 C99 C95 113.6(5) . . ?
F32 C99 F33 103.4(6) . . ?
F31 C99 F32 109.5(7) . . ?
F31 C99 C95 111.7(5) . . ?
F31 C99 F33 106.2(6) . . ?
F33 C99 C95 111.8(6) . . ?
C53 C54 H54 119.6 . . ?
C55 C54 C53 120.9(5) . . ?
C55 C54 H54 119.6 . . ?
C61 B3 C77 114.2(4) . . ?
C61 B3 C69 112.5(4) . . ?
C53 B3 C77 113.0(4) . . ?
C53 B3 C61 102.6(4) . . ?
C53 B3 C69 113.0(4) . . ?
C69 B3 C77 102.0(4) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
F9 C67 C63 114.4(6) . . ?
F9 C67 F7 105.1(7) . . ?
F9 C67 F8 109.7(8) . . ?
F7 C67 C63 111.7(6) . . ?
F7 C67 F8 102.6(8) . . ?
F8 C67 C63 112.4(6) . . ?
F7A C67 C63 114.5(11) . . ?
F7A C67 F8A 109.3(14) . . ?
F8A C67 C63 105.1(9) . . ?
F9A C67 C63 119.2(10) . . ?
F9A C67 F7A 103.9(16) . . ?
F9A C67 F8A 104.2(15) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C56 C55 C54 121.4(6) . . ?
C56 C55 C59 119.1(6) . . ?
C54 C55 C59 119.4(6) . . ?
C22 C23 H23 121.7 . . ?
C22 C23 C24 116.6(8) . . ?
C24 C23 H23 121.7 . . ?
C25 C24 C23 122.3(7) . . ?
C25 C24 H24 118.8 . . ?
C23 C24 H24 118.8 . . ?
C50 C51 C52 121.2(6) . . ?
C50 C51 H51 119.4 . . ?
C52 C51 H51 119.4 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C55 C59 F1A 106.1(8) . . ?
F3 C59 C55 112.9(9) . . ?
F3 C59 F1 96.4(9) . . ?
F2 C59 C55 117.7(8) . . ?
F2 C59 F3 116.5(10) . . ?
F2 C59 F1 98.3(9) . . ?
F1 C59 C55 111.6(8) . . ?
F3A C59 C55 121.6(10) . . ?
F3A C59 F2A 104.7(11) . . ?
F3A C59 F1A 104.0(10) . . ?
F2A C59 C55 118.4(9) . . ?
F2A C59 F1A 98.6(11) . . ?
F14 C75 C71 109.2(6) . . ?
F15 C75 C71 112.8(7) . . ?
F15 C75 F14 107.8(9) . . ?
F15 C75 F13 106.9(8) . . ?
F13 C75 C71 113.9(7) . . ?
F13 C75 F14 105.8(8) . . ?
F13A C75 C71 119.8(7) . . ?
F13A C75 F14A 101.9(8) . . ?
F13A C75 F15A 112.5(9) . . ?
F14A C75 C71 106.6(6) . . ?
F15A C75 C71 112.3(8) . . ?
F15A C75 F14A 101.0(8) . . ?
F46 C116 C113 113.1(5) . . ?
F46 C116 F48 104.8(7) . . ?
F48 C116 C113 111.6(6) . . ?
F47 C116 C113 115.1(5) . . ?
F47 C116 F46 105.1(7) . . ?
F47 C116 F48 106.4(7) . . ?
F46A C116 C113 113.0(9) . . ?
F46A C116 F48A 102.6(14) . . ?
F48A C116 C113 108.3(8) . . ?
F47A C116 C113 116.2(9) . . ?
F47A C116 F46A 109.3(13) . . ?
F47A C116 F48A 106.5(14) . . ?

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
Pt1 C1 N1 C4 -1.5(9) . . . . ?
Pt1 C1 N1 C2 175.1(5) . . . . ?
F26 C91 C87 C86 101.6(6) . . . . ?
F26 C91 C87 C88 -76.8(6) . . . . ?
F27 C91 C87 C86 -18.0(7) . . . . ?
F27 C91 C87 C88 163.6(4) . . . . ?
F25 C91 C87 C86 -138.1(5) . . . . ?
F25 C91 C87 C88 43.5(7) . . . . ?
F5 C60 C57 C58 -43.4(8) . . . . ?
F5 C60 C57 C56 140.7(6) . . . . ?
N5 C21 C26 C25 -179.9(6) . . . . ?
N5 C21 C22 N6 -0.9(6) . . . . ?
N5 C21 C22 C23 179.1(6) . . . . ?
N12 C48 C49 C50 -178.8(6) . . . . ?
N12 C48 C47 N11 0.2(6) . . . . ?
N12 C48 C47 C52 -178.7(5) . . . . ?
F4 C60 C57 C58 -162.4(5) . . . . ?
F4 C60 C57 C56 21.7(8) . . . . ?
F6 C60 C57 C58 75.9(7) . . . . ?
F6 C60 C57 C56 -100.0(7) . . . . ?
N4 C13 C12 N3 -0.2(6) . . . . ?
N7 C28 C29 N8 1.4(7) . . . . ?
N2 C1 N1 C4 -177.0(6) . . . . ?
N2 C1 N1 C2 -0.5(8) . . . . ?
N2 C3 C2 N1 0.1(9) . . . . ?
N11 C47 C52 C51 179.3(6) . . . . ?
C11 N4 C13 C12 -0.8(6) . . . . ?
C11 N4 C17 C19 59.5(6) . . . . ?
C11 N4 C17 C18 -60.8(7) . . . . ?
C11 N4 C17 C20 178.8(5) . . . . ?
C11 N3 C14 C16 105.0(6) . . . . ?
C11 N3 C14 C15 -130.1(6) . . . . ?
C11 N3 C12 C13 1.2(6) . . . . ?
C1 N2 C7 C8 -51.2(8) . . . . ?
C1 N2 C7 C9 69.6(7) . . . . ?
C1 N2 C7 C10 -169.4(6) . . . . ?
C1 N2 C3 C2 -0.4(8) . . . . ?
C1 N1 C4 C5 112.3(7) . . . . ?
C1 N1 C4 C6 -120.7(7) . . . . ?
C1 N1 C2 C3 0.3(9) . . . . ?
C78 C77 C82 C81 -1.3(7) . . . . ?
C78 C77 B3 C61 -35.0(6) . . . . ?
C78 C77 B3 C53 -151.8(4) . . . . ?
C78 C77 B3 C69 86.6(5) . . . . ?
C78 C79 C80 C81 -1.0(7) . . . . ?
C78 C79 C83 F19 -29.0(6) . . . . ?
C78 C79 C83 F21 90.5(5) . . . . ?
C78 C79 C83 F20 -150.4(4) . . . . ?
N6 C22 C23 C24 -179.0(6) . . . . ?
C93 C98 C97 C96 -1.8(7) . . . . ?
C93 C98 C97 C100 175.6(4) . . . . ?
C93 C94 C95 C96 -1.2(7) . . . . ?
C93 C94 C95 C99 179.2(5) . . . . ?
C77 C78 C79 C80 0.0(7) . . . . ?
C77 C78 C79 C83 -176.0(4) . . . . ?
C77 C82 C81 C80 0.3(7) . . . . ?
C77 C82 C81 C84 -179.7(5) . . . . ?
C14 N3 C11 Pt1 -6.2(7) . . . . ?
C14 N3 C11 N4 -177.8(5) . . . . ?
C14 N3 C12 C13 177.4(5) . . . . ?
C27 N7 C28 C29 -1.1(7) . . . . ?
C27 N7 C30 C32 -104.3(6) . . . . ?
C27 N7 C30 C31 129.3(6) . . . . ?
C27 N8 C33 C36 -71.2(7) . . . . ?
C27 N8 C33 C34 50.0(7) . . . . ?
C27 N8 C33 C35 167.4(5) . . . . ?
C27 N8 C29 C28 -1.1(7) . . . . ?
C102 C101 C106 C105 -1.6(7) . . . . ?
C102 C101 B4 C93 -83.7(5) . . . . ?
C102 C101 B4 C85 155.9(4) . . . . ?
C102 C101 B4 C109 38.6(6) . . . . ?
C102 C103 C107 F42 -122.2(6) . . . . ?
C102 C103 C107 F41 -8.9(9) . . . . ?
C102 C103 C107 F40 120.9(7) . . . . ?
N9 C38 C39 N10 -0.1(9) . . . . ?
C98 C93 C94 C95 2.8(7) . . . . ?
C98 C93 B4 C85 -153.8(4) . . . . ?
C98 C93 B4 C101 83.3(5) . . . . ?
C98 C93 B4 C109 -39.0(6) . . . . ?
C98 C97 C96 C95 3.4(7) . . . . ?
C98 C97 C100 F34 28.6(6) . . . . ?
C98 C97 C100 F36 149.5(5) . . . . ?
C98 C97 C100 F35 -92.2(6) . . . . ?
C86 C85 C90 C89 1.4(7) . . . . ?
C86 C85 B4 C93 -144.6(4) . . . . ?
C86 C85 B4 C101 -28.5(6) . . . . ?
C86 C85 B4 C109 94.4(5) . . . . ?
C86 C87 C88 C89 0.1(7) . . . . ?
C79 C78 C77 C82 1.1(6) . . . . ?
C79 C78 C77 B3 -173.5(4) . . . . ?
C82 C77 B3 C61 150.5(4) . . . . ?
C82 C77 B3 C53 33.8(6) . . . . ?
C82 C77 B3 C69 -87.8(5) . . . . ?
C82 C81 C80 C79 0.9(7) . . . . ?
C82 C81 C84 F24 56.6(7) . . . . ?
C82 C81 C84 F22 175.0(6) . . . . ?
C82 C81 C84 F23 -59.5(7) . . . . ?
C21 N5 B1 Pt1 -178.7(4) . . . . ?
C21 N5 B1 N6 1.3(6) . . . . ?
C21 C26 C25 C24 0.8(10) . . . . ?
C21 C22 C23 C24 0.9(10) . . . . ?
C85 C86 C87 C91 -176.6(4) . . . . ?
C85 C86 C87 C88 1.8(7) . . . . ?
C85 C90 C89 C88 0.4(7) . . . . ?
C85 C90 C89 C92 -176.2(5) . . . . ?
C48 N12 B2 Pt2 -177.7(4) . . . . ?
C48 N12 B2 N11 0.8(6) . . . . ?
C48 C49 C50 C51 -2.4(10) . . . . ?
C48 C47 C52 C51 -2.1(9) . . . . ?
C94 C93 C98 C97 -1.3(6) . . . . ?
C94 C93 B4 C85 31.9(6) . . . . ?
C94 C93 B4 C101 -91.1(5) . . . . ?
C94 C93 B4 C109 146.7(4) . . . . ?
C94 C95 C96 C97 -1.9(7) . . . . ?
C94 C95 C99 F32 -37.3(8) . . . . ?
C94 C95 C99 F31 87.2(7) . . . . ?
C94 C95 C99 F33 -153.9(6) . . . . ?
C105 C104 C103 C102 0.2(8) . . . . ?
C105 C104 C103 C107 -179.9(5) . . . . ?
C101 C102 C103 C104 0.0(8) . . . . ?
C101 C102 C103 C107 -180.0(5) . . . . ?
C110 C111 C112 C113 -0.9(8) . . . . ?
C110 C111 C115 F45 15.4(9) . . . . ?
C110 C111 C115 F43 -115.2(7) . . . . ?
C110 C111 C115 F44 128.0(6) . . . . ?
C110 C109 B4 C93 149.2(4) . . . . ?
C110 C109 B4 C85 -91.4(5) . . . . ?
C110 C109 B4 C101 32.6(6) . . . . ?
C28 N7 C27 Pt2 -174.3(4) . . . . ?
C28 N7 C27 N8 0.4(6) . . . . ?
C28 N7 C30 C32 69.9(7) . . . . ?
C28 N7 C30 C31 -56.4(7) . . . . ?
C91 C87 C88 C89 178.5(4) . . . . ?
C13 N4 C11 Pt1 -170.1(4) . . . . ?
C13 N4 C11 N3 1.5(5) . . . . ?
C13 N4 C17 C19 -120.6(6) . . . . ?
C13 N4 C17 C18 119.2(6) . . . . ?
C13 N4 C17 C20 -1.2(7) . . . . ?
C90 C85 B4 C93 42.1(5) . . . . ?
C90 C85 B4 C101 158.2(4) . . . . ?
C90 C85 B4 C109 -78.8(5) . . . . ?
C90 C89 C92 F30 -32.7(7) . . . . ?
C90 C89 C92 F28 -154.7(5) . . . . ?
C90 C89 C92 F29 86.2(6) . . . . ?
C104 C105 C106 C101 1.9(7) . . . . ?
C104 C105 C108 F38 -136.5(6) . . . . ?
C104 C105 C108 F39 102.7(6) . . . . ?
C104 C105 C108 F37 -19.6(7) . . . . ?
C104 C103 C107 F42 57.8(7) . . . . ?
C104 C103 C107 F41 171.1(6) . . . . ?
C104 C103 C107 F40 -59.1(9) . . . . ?
C87 C86 C85 C90 -2.4(7) . . . . ?
C87 C86 C85 B4 -175.9(4) . . . . ?
C87 C88 C89 C90 -1.1(7) . . . . ?
C87 C88 C89 C92 175.5(5) . . . . ?
C58 C57 C56 C55 2.0(10) . . . . ?
C58 C53 C54 C55 0.4(8) . . . . ?
C58 C53 B3 C77 -142.7(5) . . . . ?
C58 C53 B3 C61 93.9(5) . . . . ?
C58 C53 B3 C69 -27.6(7) . . . . ?
C80 C79 C83 F19 154.9(4) . . . . ?
C80 C79 C83 F21 -85.6(5) . . . . ?
C80 C79 C83 F20 33.5(6) . . . . ?
C80 C81 C84 F24 -123.3(6) . . . . ?
C80 C81 C84 F22 -4.9(9) . . . . ?
C80 C81 C84 F23 120.6(6) . . . . ?
C114 C113 C112 C111 1.6(8) . . . . ?
C114 C113 C116 F46 -122.2(8) . . . . ?
C114 C113 C116 F48 119.9(8) . . . . ?
C114 C113 C116 F47 -1.4(9) . . . . ?
C114 C113 C116 F46A 59.8(14) . . . . ?
C114 C113 C116 F48A -53.0(13) . . . . ?
C114 C113 C116 F47A -172.7(14) . . . . ?
C114 C109 B4 C93 -38.7(6) . . . . ?
C114 C109 B4 C85 80.7(5) . . . . ?
C114 C109 B4 C101 -155.3(4) . . . . ?
C111 C110 C109 C114 0.3(7) . . . . ?
C111 C110 C109 B4 172.8(4) . . . . ?
C103 C102 C101 C106 0.7(7) . . . . ?
C103 C102 C101 B4 171.3(4) . . . . ?
C37 N9 C38 C39 0.5(8) . . . . ?
C37 N9 C40 C41 -72.5(8) . . . . ?
C37 N9 C40 C42 162.2(6) . . . . ?
C37 N10 C39 C38 -0.3(9) . . . . ?
C37 N10 C43 C44 53.5(8) . . . . ?
C37 N10 C43 C45 -67.3(8) . . . . ?
C37 N10 C43 C46 173.0(7) . . . . ?
C88 C89 C92 F30 150.6(5) . . . . ?
C88 C89 C92 F28 28.7(7) . . . . ?
C88 C89 C92 F29 -90.5(6) . . . . ?
C66 C65 C64 C63 1.2(9) . . . . ?
C66 C65 C68 F10 50.7(10) . . . . ?
C66 C65 C68 F12 171.6(7) . . . . ?
C66 C65 C68 F11 -70.9(10) . . . . ?
C66 C65 C68 F11A 89.2(12) . . . . ?
C66 C65 C68 F12A -20.4(11) . . . . ?
C66 C65 C68 F10A -125.7(10) . . . . ?
C66 C61 B3 C77 150.9(5) . . . . ?
C66 C61 B3 C53 -86.5(5) . . . . ?
C66 C61 B3 C69 35.3(6) . . . . ?
C113 C114 C109 C110 0.5(7) . . . . ?
C113 C114 C109 B4 -172.0(5) . . . . ?
B2 N12 C48 C49 178.4(6) . . . . ?
B2 N12 C48 C47 -0.7(6) . . . . ?
B2 N11 C47 C48 0.3(6) . . . . ?
B2 N11 C47 C52 179.1(6) . . . . ?
C12 N3 C11 Pt1 170.0(4) . . . . ?
C12 N3 C11 N4 -1.7(5) . . . . ?
C12 N3 C14 C16 -70.7(7) . . . . ?
C12 N3 C14 C15 54.2(7) . . . . ?
C83 C79 C80 C81 175.0(4) . . . . ?
C109 C110 C111 C112 -0.1(8) . . . . ?
C109 C110 C111 C115 177.6(5) . . . . ?
C109 C114 C113 C112 -1.5(8) . . . . ?
C109 C114 C113 C116 176.8(5) . . . . ?
C106 C105 C104 C103 -1.1(7) . . . . ?
C106 C105 C108 F38 45.7(7) . . . . ?
C106 C105 C108 F39 -75.1(7) . . . . ?
C106 C105 C108 F37 162.7(5) . . . . ?
C106 C101 B4 C93 86.3(5) . . . . ?
C106 C101 B4 C85 -34.1(6) . . . . ?
C106 C101 B4 C109 -151.4(4) . . . . ?
C30 N7 C27 Pt2 0.7(7) . . . . ?
C30 N7 C27 N8 175.4(5) . . . . ?
C30 N7 C28 C29 -176.0(5) . . . . ?
C26 C21 C22 N6 179.6(5) . . . . ?
C26 C21 C22 C23 -0.4(9) . . . . ?
C26 C25 C24 C23 -0.2(12) . . . . ?
C96 C97 C100 F34 -154.0(5) . . . . ?
C96 C97 C100 F36 -33.1(7) . . . . ?
C96 C97 C100 F35 85.3(6) . . . . ?
C96 C95 C99 F32 143.2(6) . . . . ?
C96 C95 C99 F31 -92.3(8) . . . . ?
C96 C95 C99 F33 26.6(8) . . . . ?
C108 C105 C104 C103 -178.8(5) . . . . ?
C108 C105 C106 C101 179.6(5) . . . . ?
C33 N8 C27 Pt2 -7.1(7) . . . . ?
C33 N8 C27 N7 178.4(4) . . . . ?
C33 N8 C29 C28 -179.1(5) . . . . ?
C7 N2 C1 Pt1 3.3(9) . . . . ?
C7 N2 C1 N1 178.8(5) . . . . ?
C7 N2 C3 C2 -178.6(6) . . . . ?
C112 C111 C115 F45 -166.8(6) . . . . ?
C112 C111 C115 F43 62.5(8) . . . . ?
C112 C111 C115 F44 -54.2(7) . . . . ?
C112 C113 C116 F46 56.1(9) . . . . ?
C112 C113 C116 F48 -61.8(8) . . . . ?
C112 C113 C116 F47 176.9(7) . . . . ?
C112 C113 C116 F46A -121.9(13) . . . . ?
C112 C113 C116 F48A 125.3(13) . . . . ?
C112 C113 C116 F47A 5.6(16) . . . . ?
C84 C81 C80 C79 -179.2(5) . . . . ?
C22 N6 B1 Pt1 178.2(4) . . . . ?
C22 N6 B1 N5 -1.9(6) . . . . ?
C22 C21 C26 C25 -0.5(9) . . . . ?
C22 C23 C24 C25 -0.7(12) . . . . ?
C49 C48 C47 N11 -178.9(5) . . . . ?
C49 C48 C47 C52 2.2(9) . . . . ?
C49 C50 C51 C52 2.5(11) . . . . ?
C60 C57 C56 C55 177.7(6) . . . . ?
C57 C58 C53 C54 0.9(8) . . . . ?
C57 C58 C53 B3 -175.2(5) . . . . ?
C57 C56 C55 C54 -0.7(10) . . . . ?
C57 C56 C55 C59 175.5(7) . . . . ?
C47 N11 B2 Pt2 177.8(4) . . . . ?
C47 N11 B2 N12 -0.7(6) . . . . ?
C47 C48 C49 C50 0.1(9) . . . . ?
C47 C52 C51 C50 -0.2(10) . . . . ?
C74 C69 B3 C77 80.4(5) . . . . ?
C74 C69 B3 C61 -156.9(4) . . . . ?
C74 C69 B3 C53 -41.2(6) . . . . ?
C74 C73 C76 F17 33.7(8) . . . . ?
C74 C73 C76 F16 -83.0(7) . . . . ?
C74 C73 C76 F18 151.9(6) . . . . ?
C100 C97 C96 C95 -174.0(5) . . . . ?
C29 N8 C27 Pt2 175.0(4) . . . . ?
C29 N8 C27 N7 0.4(6) . . . . ?
C29 N8 C33 C36 106.5(6) . . . . ?
C29 N8 C33 C34 -132.3(6) . . . . ?
C29 N8 C33 C35 -14.9(7) . . . . ?
C70 C69 B3 C77 -92.7(5) . . . . ?
C70 C69 B3 C61 30.1(6) . . . . ?
C70 C69 B3 C53 145.8(5) . . . . ?
C70 C71 C75 F14 65.8(8) . . . . ?
C70 C71 C75 F15 -54.1(9) . . . . ?
C70 C71 C75 F13 -176.2(8) . . . . ?
C70 C71 C75 F13A 7.2(11) . . . . ?
C70 C71 C75 F14A -107.6(8) . . . . ?
C70 C71 C75 F15A 142.7(8) . . . . ?
C4 N1 C2 C3 176.8(7) . . . . ?
B1 N5 C21 C26 179.1(6) . . . . ?
B1 N5 C21 C22 -0.3(6) . . . . ?
B1 N6 C22 C21 1.7(7) . . . . ?
B1 N6 C22 C23 -178.3(7) . . . . ?
C38 N9 C37 Pt2 -174.1(5) . . . . ?
C38 N9 C37 N10 -0.7(7) . . . . ?
C38 N9 C40 C41 103.0(8) . . . . ?
C38 N9 C40 C42 -22.3(9) . . . . ?
C65 C66 C61 C62 0.7(8) . . . . ?
C65 C66 C61 B3 169.6(5) . . . . ?
C65 C64 C63 C62 -0.2(9) . . . . ?
C65 C64 C63 C67 -177.6(6) . . . . ?
C62 C61 B3 C77 -40.7(6) . . . . ?
C62 C61 B3 C53 81.9(6) . . . . ?
C62 C61 B3 C69 -156.3(5) . . . . ?
C62 C63 C67 F9 -174.1(8) . . . . ?
C62 C63 C67 F7 -54.9(10) . . . . ?
C62 C63 C67 F8 59.9(10) . . . . ?
C62 C63 C67 F7A 117.5(16) . . . . ?
C62 C63 C67 F8A -122.6(11) . . . . ?
C62 C63 C67 F9A -6.3(19) . . . . ?
C17 N4 C11 Pt1 9.9(7) . . . . ?
C17 N4 C11 N3 -178.5(4) . . . . ?
C17 N4 C13 C12 179.2(5) . . . . ?
C3 N2 C1 Pt1 -175.0(5) . . . . ?
C3 N2 C1 N1 0.5(7) . . . . ?
C3 N2 C7 C8 126.7(7) . . . . ?
C3 N2 C7 C9 -112.5(7) . . . . ?
C3 N2 C7 C10 8.6(9) . . . . ?
C64 C65 C68 F10 -126.5(9) . . . . ?
C64 C65 C68 F12 -5.6(11) . . . . ?
C64 C65 C68 F11 111.9(10) . . . . ?
C64 C65 C68 F11A -87.9(12) . . . . ?
C64 C65 C68 F12A 162.4(9) . . . . ?
C64 C65 C68 F10A 57.1(12) . . . . ?
C64 C63 C67 F9 3.4(11) . . . . ?
C64 C63 C67 F7 122.6(8) . . . . ?
C64 C63 C67 F8 -122.6(9) . . . . ?
C64 C63 C67 F7A -65.1(17) . . . . ?
C64 C63 C67 F8A 54.8(12) . . . . ?
C64 C63 C67 F9A 171.1(17) . . . . ?
C61 C66 C65 C64 -1.4(8) . . . . ?
C61 C66 C65 C68 -178.6(5) . . . . ?
C61 C62 C63 C64 -0.5(9) . . . . ?
C61 C62 C63 C67 176.9(6) . . . . ?
C63 C62 C61 C66 0.3(8) . . . . ?
C63 C62 C61 B3 -168.7(5) . . . . ?
C115 C111 C112 C113 -178.6(5) . . . . ?
B4 C93 C98 C97 -175.9(4) . . . . ?
B4 C93 C94 C95 177.4(4) . . . . ?
B4 C85 C90 C89 175.2(4) . . . . ?
B4 C101 C106 C105 -172.0(4) . . . . ?
C2 N1 C4 C5 -63.8(9) . . . . ?
C2 N1 C4 C6 63.3(9) . . . . ?
C40 N9 C37 Pt2 1.9(9) . . . . ?
C40 N9 C37 N10 175.4(6) . . . . ?
C40 N9 C38 C39 -175.5(7) . . . . ?
C53 C58 C57 C60 -177.9(5) . . . . ?
C53 C58 C57 C56 -2.2(9) . . . . ?
C53 C54 C55 C56 -0.5(10) . . . . ?
C53 C54 C55 C59 -176.7(7) . . . . ?
C69 C74 C73 C72 -0.6(8) . . . . ?
C69 C74 C73 C76 178.0(5) . . . . ?
C69 C70 C71 C72 -1.2(8) . . . . ?
C69 C70 C71 C75 178.7(5) . . . . ?
C56 C55 C59 F3 142.4(9) . . . . ?
C56 C55 C59 F2 2.2(14) . . . . ?
C56 C55 C59 F1 -110.3(9) . . . . ?
C56 C55 C59 F3A -56.3(15) . . . . ?
C56 C55 C59 F2A 171.4(11) . . . . ?
C56 C55 C59 F1A 62.0(10) . . . . ?
C72 C73 C76 F17 -147.6(6) . . . . ?
C72 C73 C76 F16 95.6(7) . . . . ?
C72 C73 C76 F18 -29.4(9) . . . . ?
C72 C71 C75 F14 -114.3(8) . . . . ?
C72 C71 C75 F15 125.8(8) . . . . ?
C72 C71 C75 F13 3.7(10) . . . . ?
C72 C71 C75 F13A -172.9(8) . . . . ?
C72 C71 C75 F14A 72.3(8) . . . . ?
C72 C71 C75 F15A -37.4(10) . . . . ?
C73 C74 C69 C70 0.1(7) . . . . ?
C73 C74 C69 B3 -173.2(5) . . . . ?
C73 C72 C71 C70 0.7(8) . . . . ?
C73 C72 C71 C75 -179.1(5) . . . . ?
C71 C70 C69 C74 0.8(7) . . . . ?
C71 C70 C69 B3 173.8(5) . . . . ?
C71 C72 C73 C74 0.2(8) . . . . ?
C71 C72 C73 C76 -178.4(5) . . . . ?
C68 C65 C64 C63 178.3(6) . . . . ?
C39 N10 C37 Pt2 174.7(5) . . . . ?
C39 N10 C37 N9 0.6(7) . . . . ?
C39 N10 C43 C44 -128.5(7) . . . . ?
C39 N10 C43 C45 110.7(7) . . . . ?
C39 N10 C43 C46 -9.0(10) . . . . ?
C43 N10 C37 Pt2 -7.0(9) . . . . ?
C43 N10 C37 N9 178.8(6) . . . . ?
C43 N10 C39 C38 -178.6(7) . . . . ?
C99 C95 C96 C97 177.6(5) . . . . ?
C54 C53 B3 C77 41.4(6) . . . . ?
C54 C53 B3 C61 -82.1(6) . . . . ?
C54 C53 B3 C69 156.5(5) . . . . ?
C54 C55 C59 F3 -41.3(13) . . . . ?
C54 C55 C59 F2 178.5(10) . . . . ?
C54 C55 C59 F1 66.0(10) . . . . ?
C54 C55 C59 F3A 120.0(12) . . . . ?
C54 C55 C59 F2A -12.3(16) . . . . ?
C54 C55 C59 F1A -121.7(8) . . . . ?
B3 C77 C82 C81 173.4(4) . . . . ?
B3 C53 C54 C55 176.6(5) . . . . ?
C116 C113 C112 C111 -176.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2CL2, pentane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2033933'
loop_
_audit_author_name
_audit_author_address
'Francisco Jose Fernandez de Cordova Martin'
;Instituto de Investigaciones Quimicas (CSIC US)
Spain
;
_audit_update_record             
;
2020-09-25 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
_audit_creation_date             2020-09-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H42 B N6 Pt, C32 H12 B F24'
_chemical_formula_sum            'C58 H54 B2 F24 N6 Pt'
_chemical_formula_weight         1507.78
_chemical_melting_point          ?
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'
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'
N N 0.0030 0.0019 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8046(7)
_cell_length_b                   13.6804(7)
_cell_length_c                   18.4265(10)
_cell_angle_alpha                96.145(3)
_cell_angle_beta                 98.035(3)
_cell_angle_gamma                91.631(3)
_cell_volume                     3174.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   0.813
_shelx_estimated_absorpt_T_min   0.742
_exptl_absorpt_coefficient_mu    1.267
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0863 before and 0.0604 after correction.
The Ratio of minimum to maximum transmission is 0.9054.
The λ/2 correction factor is 0.0000.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_unetI/netI     0.0827
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            89536
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         25.801
_diffrn_reflns_theta_min         1.696
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_source                   ?
_diffrn_source_current           0.6
_diffrn_source_power             0.03
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19247
_reflns_number_total             24625
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.18C (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.246
_refine_diff_density_min         -1.562
_refine_diff_density_rms         0.161
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     897
_refine_ls_number_reflns         24625
_refine_ls_number_restraints     324
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0438
_refine_ls_restrained_S_all      1.118
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0341P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0888
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C33-F1A \\sim C33-F2A \\sim C33-F3A \\sim C33-F1B \\sim C33-F2B \\sim C33-F3B
 with sigma of 0.02
 F1A-F2A \\sim F1A-F3A \\sim F2A-F3A \\sim F1B-F2B \\sim F1B-F3B \\sim F2B-F3B
 with sigma of 0.02
 C41-F7A \\sim C41-F8A \\sim C41-F9A \\sim C41-F7B \\sim C41-F8B \\sim C41-F9B
 with sigma of 0.02
 F7A-F8A \\sim F7A-F9A \\sim F8A-F9A \\sim F7B-F8B \\sim F7B-F9B \\sim F8B-F9B
 with sigma of 0.02
3. Rigid bond restraints
 C57, F21, F20, F19
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C33, F3B, F2A, F1B, F3A, F2B, F1A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C41, F7A, F8A, F9A, F7B, F8B, F9B
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C58, F22, F23, F24
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C57 \\sim F20 \\sim F19 \\sim F21: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 1.7A
C33 \\sim F3B \\sim F2A \\sim F1B \\sim F3A \\sim F2B \\sim F1A: within 1.7A
with sigma of 0.005 and sigma for terminal atoms of 0.01 within 1.7A
C41 \\sim F7A \\sim F8A \\sim F9A \\sim F7B \\sim F8B \\sim F9B: within 2A with
sigma of 0.005 and sigma for terminal atoms of 0.01 within 2A
C58 \\sim F22 \\sim F23 \\sim F24: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 2A
Uanis(F21) \\sim Ueq, Uanis(F20) \\sim Ueq, Uanis(F19) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.005
Uanis(F3B) \\sim Ueq, Uanis(F2A) \\sim Ueq, Uanis(F1B) \\sim Ueq, Uanis(F3A)
\\sim Ueq, Uanis(F2B) \\sim Ueq, Uanis(F1A) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.02
5. Others
 Sof(F1B)=Sof(F2B)=Sof(F3B)=1-FVAR(1)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=FVAR(1)
 Sof(F7B)=Sof(F8B)=Sof(F9B)=1-FVAR(2)
 Sof(F7A)=Sof(F8A)=Sof(F9A)=FVAR(2)
6.a Ternary CH refined with riding coordinates:
 C14(H14), C24(H24)
6.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C18(H18), C19(H19), C28(H28),
 C30(H30), C32(H32), C36(H36), C38(H38), C40(H40), C44(H44), C46(H46), C48(H48),
  C52(H52), C54(H54), C56(H56)
6.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C25(H25A,
 H25B,H25C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 1.03262(2) 0.93006(2) 0.81688(2) 0.01314(3) Uani 1 1 d . . . . .
H1A H 1.146(3) 0.875(2) 0.8424(19) 0.036(9) Uiso 1 1 d . . . . .
F1A F 0.8358(3) 0.4537(3) 0.55084(17) 0.0442(9) Uani 0.665(5) 1 d D U P A 1
F2A F 0.8819(5) 0.3126(3) 0.5759(3) 0.0657(12) Uani 0.665(5) 1 d D U P A 1
F3A F 0.9868(2) 0.4397(4) 0.60492(19) 0.0607(12) Uani 0.665(5) 1 d D U P A 1
F1B F 0.9848(5) 0.3550(7) 0.6115(3) 0.0520(17) Uani 0.335(5) 1 d D U P A 2
F2B F 0.9006(8) 0.4706(5) 0.5663(4) 0.0581(16) Uani 0.335(5) 1 d D U P A 2
F3B F 0.8320(5) 0.3275(6) 0.5570(5) 0.0445(17) Uani 0.335(5) 1 d D U P A 2
F4 F 1.02063(16) 0.41047(14) 0.88601(11) 0.0420(5) Uani 1 1 d . . . . .
F5 F 1.00886(15) 0.56422(13) 0.87908(10) 0.0344(4) Uani 1 1 d . . . . .
F6 F 0.90185(14) 0.48989(16) 0.93538(10) 0.0382(5) Uani 1 1 d . . . . .
F7A F 0.6969(6) 0.1543(5) 0.9166(3) 0.0543(15) Uani 0.581(9) 1 d D U P B 1
F8A F 0.5780(4) 0.1392(4) 0.9843(4) 0.0569(15) Uani 0.581(9) 1 d D U P B 1
F9A F 0.7032(6) 0.2436(4) 1.0172(4) 0.0656(17) Uani 0.581(9) 1 d D U P B 1
F7B F 0.6432(8) 0.1285(5) 0.9131(4) 0.0571(19) Uani 0.419(9) 1 d D U P B 2
F8B F 0.6002(7) 0.1786(7) 1.0171(4) 0.0550(18) Uani 0.419(9) 1 d D U P B 2
F9B F 0.7318(5) 0.2427(6) 0.9837(5) 0.0557(18) Uani 0.419(9) 1 d D U P B 2
F10 F 0.24764(13) 0.39755(13) 0.91544(10) 0.0260(4) Uani 1 1 d . . . . .
F11 F 0.33678(14) 0.53354(12) 0.94646(11) 0.0317(4) Uani 1 1 d . . . . .
F12 F 0.34178(14) 0.42376(15) 1.02266(10) 0.0350(5) Uani 1 1 d . . . . .
F13 F 0.23302(15) 0.31447(14) 0.52968(11) 0.0387(5) Uani 1 1 d . . . . .
F14 F 0.18473(14) 0.25208(18) 0.62158(11) 0.0472(6) Uani 1 1 d . . . . .
F15 F 0.21354(14) 0.15786(14) 0.52611(11) 0.0344(4) Uani 1 1 d . . . . .
F16 F 0.51970(17) -0.02204(14) 0.58738(15) 0.0572(7) Uani 1 1 d . . . . .
F17 F 0.65105(16) 0.06539(15) 0.56751(12) 0.0447(5) Uani 1 1 d . . . . .
F18 F 0.63646(17) 0.03734(13) 0.67732(12) 0.0427(5) Uani 1 1 d . . . . .
F19 F 0.54493(19) 0.6502(2) 0.51882(12) 0.0627(6) Uani 1 1 d . U . . .
F20 F 0.39333(18) 0.58446(17) 0.51217(11) 0.0494(5) Uani 1 1 d . U . . .
F21 F 0.4155(3) 0.73728(18) 0.54260(13) 0.0822(8) Uani 1 1 d . U . . .
F22 F 0.42491(19) 0.81022(18) 0.82616(13) 0.0623(6) Uani 1 1 d . U . . .
F23 F 0.5742(2) 0.85699(14) 0.80283(12) 0.0575(6) Uani 1 1 d . U . . .
F24 F 0.56633(17) 0.75859(13) 0.88346(10) 0.0358(4) Uani 1 1 d . U . . .
N1 N 1.16879(19) 0.78798(17) 0.72645(14) 0.0223(5) Uani 1 1 d . . . . .
H1 H 1.176(3) 0.833(2) 0.6883(18) 0.033(9) Uiso 1 1 d . . . . .
N2 N 1.15434(18) 0.71042(16) 0.82740(13) 0.0187(5) Uani 1 1 d . . . . .
H2 H 1.155(3) 0.698(3) 0.877(2) 0.039(10) Uiso 1 1 d . . . . .
N3 N 1.04883(18) 1.12859(15) 0.78142(13) 0.0174(4) Uani 1 1 d . . . . .
N4 N 1.21131(18) 1.09206(16) 0.80769(13) 0.0183(5) Uani 1 1 d . . . . .
N5 N 0.87091(17) 0.76458(15) 0.76323(12) 0.0159(4) Uani 1 1 d . . . . .
N6 N 0.88990(18) 0.78050(15) 0.88201(12) 0.0159(4) Uani 1 1 d . . . . .
C1 C 1.1875(2) 0.6882(2) 0.70968(16) 0.0213(6) Uani 1 1 d . . . . .
C2 C 1.1794(2) 0.64123(19) 0.77253(16) 0.0188(5) Uani 1 1 d . . . . .
C3 C 1.1930(2) 0.5412(2) 0.77131(17) 0.0224(6) Uani 1 1 d . . . . .
H3 H 1.189288 0.508792 0.814053 0.027 Uiso 1 1 calc R U . . .
C4 C 1.2121(2) 0.4897(2) 0.7063(2) 0.0303(7) Uani 1 1 d . . . . .
H4 H 1.220586 0.420777 0.704279 0.036 Uiso 1 1 calc R U . . .
C5 C 1.2191(3) 0.5364(2) 0.6439(2) 0.0338(8) Uani 1 1 d . . . . .
H5 H 1.232650 0.498996 0.599955 0.041 Uiso 1 1 calc R U . . .
C6 C 1.2067(3) 0.6364(2) 0.64445(18) 0.0311(7) Uani 1 1 d . . . . .
H6 H 1.211207 0.668471 0.601671 0.037 Uiso 1 1 calc R U . . .
C7 C 1.1108(2) 1.05479(18) 0.80203(14) 0.0165(5) Uani 1 1 d . . . . .
C8 C 1.1095(2) 1.21116(19) 0.77425(16) 0.0238(6) Uani 1 1 d . . . . .
H8 H 1.084552 1.272009 0.759987 0.029 Uiso 1 1 calc R U . . .
C9 C 1.2099(2) 1.18873(19) 0.79126(17) 0.0244(6) Uani 1 1 d . . . . .
H9 H 1.269995 1.231409 0.791998 0.029 Uiso 1 1 calc R U . . .
C10 C 0.9343(2) 1.10719(19) 0.75845(15) 0.0187(5) Uani 1 1 d . . . . .
C11 C 0.8718(2) 1.1959(2) 0.78057(17) 0.0255(6) Uani 1 1 d . . . . .
H11A H 0.885766 1.249127 0.751146 0.038 Uiso 1 1 calc R U . . .
H11B H 0.893167 1.218298 0.833013 0.038 Uiso 1 1 calc R U . . .
H11C H 0.796213 1.177371 0.771790 0.038 Uiso 1 1 calc R U . . .
C12 C 0.9167(3) 1.0804(2) 0.67508(16) 0.0275(6) Uani 1 1 d . . . . .
H12A H 0.841259 1.066348 0.658045 0.041 Uiso 1 1 calc R U . . .
H12B H 0.956078 1.022178 0.662389 0.041 Uiso 1 1 calc R U . . .
H12C H 0.941425 1.135632 0.651191 0.041 Uiso 1 1 calc R U . . .
C13 C 0.9076(2) 1.01960(18) 0.79927(15) 0.0168(5) Uani 1 1 d . . . . .
H13A H 0.846750 0.980569 0.770012 0.020 Uiso 1 1 calc R U . . .
H13B H 0.886654 1.044584 0.847333 0.020 Uiso 1 1 calc R U . . .
C14 C 1.3079(2) 1.0382(2) 0.82770(17) 0.0216(6) Uani 1 1 d . . . . .
H14 H 1.291085 0.967022 0.810144 0.026 Uiso 1 1 calc R U . . .
C15 C 1.3386(3) 1.0465(3) 0.90995(18) 0.0351(8) Uani 1 1 d . . . . .
H15A H 1.402926 1.010731 0.921738 0.053 Uiso 1 1 calc R U . . .
H15B H 1.281389 1.018240 0.932386 0.053 Uiso 1 1 calc R U . . .
H15C H 1.351608 1.115981 0.929355 0.053 Uiso 1 1 calc R U . . .
C16 C 1.3967(2) 1.0720(2) 0.78802(19) 0.0316(7) Uani 1 1 d . . . . .
H16A H 1.455423 1.027951 0.794880 0.047 Uiso 1 1 calc R U . . .
H16B H 1.420996 1.139221 0.808363 0.047 Uiso 1 1 calc R U . . .
H16C H 1.370804 1.070597 0.735277 0.047 Uiso 1 1 calc R U . . .
C17 C 0.9265(2) 0.81668(17) 0.82372(14) 0.0140(5) Uani 1 1 d . . . . .
C18 C 0.8132(2) 0.70675(19) 0.85659(16) 0.0203(6) Uani 1 1 d . . . . .
H18 H 0.775459 0.670032 0.886229 0.024 Uiso 1 1 calc R U . . .
C19 C 0.8017(2) 0.6964(2) 0.78310(17) 0.0218(6) Uani 1 1 d . . . . .
H19 H 0.754891 0.650936 0.750670 0.026 Uiso 1 1 calc R U . . .
C20 C 0.9193(2) 0.81841(19) 0.96129(15) 0.0202(5) Uani 1 1 d . . . . .
C21 C 0.8845(3) 0.9237(2) 0.97227(17) 0.0261(6) Uani 1 1 d . . . . .
H21A H 0.924683 0.965434 0.944953 0.039 Uiso 1 1 calc R U . . .
H21B H 0.897492 0.947992 1.024879 0.039 Uiso 1 1 calc R U . . .
H21C H 0.809037 0.925595 0.954060 0.039 Uiso 1 1 calc R U . . .
C22 C 1.0377(2) 0.8109(2) 0.98364(16) 0.0252(6) Uani 1 1 d . . . . .
H22A H 1.056407 0.742061 0.975444 0.038 Uiso 1 1 calc R U . . .
H22B H 1.056757 0.835200 1.035959 0.038 Uiso 1 1 calc R U . . .
H22C H 1.075957 0.850677 0.953901 0.038 Uiso 1 1 calc R U . . .
C23 C 0.8612(3) 0.7564(2) 1.00887(17) 0.0272(7) Uani 1 1 d . . . . .
H23A H 0.784833 0.760953 0.995384 0.041 Uiso 1 1 calc R U . . .
H23B H 0.881488 0.781058 1.061020 0.041 Uiso 1 1 calc R U . . .
H23C H 0.880086 0.687612 1.000639 0.041 Uiso 1 1 calc R U . . .
C24 C 0.8769(2) 0.7798(2) 0.68620(15) 0.0214(6) Uani 1 1 d . . . . .
H24 H 0.932931 0.832085 0.685892 0.026 Uiso 1 1 calc R U . . .
C25 C 0.9077(2) 0.6862(2) 0.64396(16) 0.0258(6) Uani 1 1 d . . . . .
H25A H 0.922946 0.700300 0.595370 0.039 Uiso 1 1 calc R U . . .
H25B H 0.849534 0.636579 0.637842 0.039 Uiso 1 1 calc R U . . .
H25C H 0.970708 0.661265 0.671399 0.039 Uiso 1 1 calc R U . . .
C26 C 0.7718(3) 0.8161(2) 0.65114(18) 0.0323(7) Uani 1 1 d . . . . .
H26A H 0.778933 0.834606 0.602094 0.048 Uiso 1 1 calc R U . . .
H26B H 0.752201 0.873357 0.682201 0.048 Uiso 1 1 calc R U . . .
H26C H 0.716948 0.763456 0.646659 0.048 Uiso 1 1 calc R U . . .
C27 C 0.6979(2) 0.41892(17) 0.74183(14) 0.0131(5) Uani 1 1 d . . . . .
C28 C 0.7413(2) 0.40783(18) 0.67586(14) 0.0153(5) Uani 1 1 d . . . . .
H28 H 0.695958 0.390862 0.630597 0.018 Uiso 1 1 calc R U . . .
C29 C 0.8496(2) 0.42111(18) 0.67505(15) 0.0163(5) Uani 1 1 d . . . . .
C30 C 0.9184(2) 0.44718(18) 0.73961(15) 0.0165(5) Uani 1 1 d . . . . .
H30 H 0.991956 0.457153 0.738797 0.020 Uiso 1 1 calc R U . . .
C31 C 0.8770(2) 0.45832(17) 0.80548(14) 0.0144(5) Uani 1 1 d . . . . .
C32 C 0.7696(2) 0.44415(17) 0.80641(14) 0.0135(5) Uani 1 1 d . . . . .
H32 H 0.743653 0.451790 0.852440 0.016 Uiso 1 1 calc R U . . .
C33 C 0.8908(2) 0.4016(2) 0.60268(17) 0.0278(5) Uani 1 1 d D U . . .
C34 C 0.9505(2) 0.48053(19) 0.87634(16) 0.0198(5) Uani 1 1 d . . . . .
C35 C 0.54016(19) 0.38186(18) 0.81990(14) 0.0133(5) Uani 1 1 d . . . . .
C36 C 0.5959(2) 0.31058(18) 0.85664(14) 0.0162(5) Uani 1 1 d . . . . .
H36 H 0.652985 0.281499 0.835761 0.019 Uiso 1 1 calc R U . . .
C37 C 0.5716(2) 0.28063(19) 0.92193(15) 0.0186(5) Uani 1 1 d . . . . .
C38 C 0.4890(2) 0.3219(2) 0.95460(15) 0.0194(5) Uani 1 1 d . . . . .
H38 H 0.472343 0.302590 0.999787 0.023 Uiso 1 1 calc R U . . .
C39 C 0.4322(2) 0.39179(19) 0.91937(14) 0.0164(5) Uani 1 1 d . . . . .
C40 C 0.4563(2) 0.42049(19) 0.85321(14) 0.0157(5) Uani 1 1 d . . . . .
H40 H 0.414560 0.467761 0.829965 0.019 Uiso 1 1 calc R U . . .
C41 C 0.6365(2) 0.2063(2) 0.95903(17) 0.0303(7) Uani 1 1 d D U . . .
C42 C 0.3406(2) 0.4363(2) 0.95110(15) 0.0223(6) Uani 1 1 d . . . . .
C43 C 0.5161(2) 0.31859(18) 0.68158(14) 0.0143(5) Uani 1 1 d . . . . .
C44 C 0.4113(2) 0.31654(19) 0.64804(14) 0.0154(5) Uani 1 1 d . . . . .
H44 H 0.371629 0.373385 0.655823 0.018 Uiso 1 1 calc R U . . .
C45 C 0.3627(2) 0.23486(19) 0.60376(14) 0.0160(5) Uani 1 1 d . . . . .
C46 C 0.4164(2) 0.15013(19) 0.59102(15) 0.0188(5) Uani 1 1 d . . . . .
H46 H 0.383283 0.094423 0.560347 0.023 Uiso 1 1 calc R U . . .
C47 C 0.5197(2) 0.14886(19) 0.62423(16) 0.0191(5) Uani 1 1 d . . . . .
C48 C 0.5684(2) 0.23132(18) 0.66822(15) 0.0170(5) Uani 1 1 d . . . . .
H48 H 0.639788 0.228249 0.690027 0.020 Uiso 1 1 calc R U . . .
C49 C 0.2495(2) 0.2397(2) 0.57063(16) 0.0248(6) Uani 1 1 d . . . . .
C50 C 0.5806(3) 0.0581(2) 0.6138(2) 0.0303(7) Uani 1 1 d . . . . .
C51 C 0.53128(19) 0.51867(18) 0.72111(14) 0.0137(5) Uani 1 1 d . . . . .
C52 C 0.5057(2) 0.53974(19) 0.64862(15) 0.0176(5) Uani 1 1 d . . . . .
H52 H 0.502742 0.487827 0.609678 0.021 Uiso 1 1 calc R U . . .
C53 C 0.4843(2) 0.6349(2) 0.63136(15) 0.0210(6) Uani 1 1 d . . . . .
C54 C 0.4877(2) 0.7124(2) 0.68630(16) 0.0218(6) Uani 1 1 d . . . . .
H54 H 0.472321 0.776902 0.674657 0.026 Uiso 1 1 calc R U . . .
C55 C 0.5140(2) 0.69367(19) 0.75864(16) 0.0193(5) Uani 1 1 d . . . . .
C56 C 0.5354(2) 0.59886(18) 0.77568(15) 0.0164(5) Uani 1 1 d . . . . .
H56 H 0.553310 0.588210 0.825925 0.020 Uiso 1 1 calc R U . . .
C57 C 0.4596(3) 0.6524(2) 0.55186(18) 0.0328(6) Uani 1 1 d . U . . .
C58 C 0.5179(3) 0.7774(2) 0.8179(2) 0.0397(6) Uani 1 1 d . U . . .
B1 B 1.1448(2) 0.8028(2) 0.79939(18) 0.0178(6) Uani 1 1 d . . . . .
B2 B 0.5696(2) 0.4100(2) 0.74077(16) 0.0129(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 H1A 1.69(3) . ?
Pt1 C7 2.017(2) . ?
Pt1 C13 2.054(2) . ?
Pt1 C17 2.059(2) . ?
Pt1 B1 2.314(3) . ?
F1A C33 1.379(4) . ?
F2A C33 1.260(5) . ?
F3A C33 1.315(4) . ?
F1B C33 1.375(6) . ?
F2B C33 1.228(6) . ?
F3B C33 1.379(7) . ?
F4 C34 1.340(3) . ?
F5 C34 1.341(3) . ?
F6 C34 1.324(3) . ?
F7A C41 1.341(5) . ?
F8A C41 1.331(5) . ?
F9A C41 1.320(5) . ?
F7B C41 1.300(7) . ?
F8B C41 1.312(6) . ?
F9B C41 1.305(7) . ?
F10 C42 1.341(3) . ?
F11 C42 1.344(3) . ?
F12 C42 1.346(3) . ?
F13 C49 1.339(3) . ?
F14 C49 1.338(3) . ?
F15 C49 1.344(3) . ?
F16 C50 1.333(4) . ?
F17 C50 1.334(4) . ?
F18 C50 1.346(4) . ?
F19 C57 1.322(4) . ?
F20 C57 1.325(4) . ?
F21 C57 1.323(4) . ?
F22 C58 1.307(4) . ?
F23 C58 1.364(4) . ?
F24 C58 1.333(4) . ?
N1 H1 0.99(3) . ?
N1 C1 1.402(3) . ?
N1 B1 1.415(4) . ?
N2 H2 0.94(4) . ?
N2 C2 1.387(3) . ?
N2 B1 1.417(4) . ?
N3 C7 1.355(3) . ?
N3 C8 1.381(3) . ?
N3 C10 1.480(4) . ?
N4 C7 1.357(3) . ?
N4 C9 1.388(3) . ?
N4 C14 1.480(4) . ?
N5 C17 1.355(3) . ?
N5 C19 1.381(3) . ?
N5 C24 1.468(3) . ?
N6 C17 1.363(3) . ?
N6 C18 1.384(4) . ?
N6 C20 1.489(4) . ?
C1 C2 1.398(4) . ?
C1 C6 1.385(4) . ?
C2 C3 1.383(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.378(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(4) . ?
C6 H6 0.9500 . ?
C8 H8 0.9500 . ?
C8 C9 1.333(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.523(4) . ?
C10 C12 1.524(4) . ?
C10 C13 1.536(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14 1.0000 . ?
C14 C15 1.503(4) . ?
C14 C16 1.522(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C18 H18 0.9500 . ?
C18 C19 1.333(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.521(4) . ?
C20 C22 1.523(4) . ?
C20 C23 1.532(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 1.0000 . ?
C24 C25 1.517(4) . ?
C24 C26 1.529(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.402(3) . ?
C27 C32 1.403(4) . ?
C27 B2 1.640(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.395(4) . ?
C29 C30 1.385(4) . ?
C29 C33 1.502(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.386(4) . ?
C31 C32 1.386(3) . ?
C31 C34 1.496(4) . ?
C32 H32 0.9500 . ?
C35 C36 1.402(3) . ?
C35 C40 1.399(3) . ?
C35 B2 1.638(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.384(3) . ?
C37 C38 1.392(4) . ?
C37 C41 1.493(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(4) . ?
C39 C40 1.392(3) . ?
C39 C42 1.498(4) . ?
C40 H40 0.9500 . ?
C43 C44 1.395(4) . ?
C43 C48 1.401(3) . ?
C43 B2 1.635(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.388(4) . ?
C45 C46 1.380(4) . ?
C45 C49 1.498(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.379(4) . ?
C47 C48 1.393(4) . ?
C47 C50 1.494(4) . ?
C48 H48 0.9500 . ?
C51 C52 1.393(4) . ?
C51 C56 1.401(4) . ?
C51 B2 1.640(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.398(3) . ?
C53 C54 1.381(4) . ?
C53 C57 1.501(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.381(4) . ?
C55 C56 1.392(3) . ?
C55 C58 1.490(4) . ?
C56 H56 0.9500 . ?
B1 H1A 1.19(3) . ?

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
C7 Pt1 H1A 92.2(11) . . ?
C7 Pt1 C13 80.28(10) . . ?
C7 Pt1 C17 168.52(10) . . ?
C7 Pt1 B1 106.92(10) . . ?
C13 Pt1 H1A 169.1(12) . . ?
C13 Pt1 C17 88.53(10) . . ?
C13 Pt1 B1 160.62(12) . . ?
C17 Pt1 H1A 99.2(11) . . ?
C17 Pt1 B1 82.92(10) . . ?
B1 Pt1 H1A 29.9(12) . . ?
C1 N1 H1 118.1(19) . . ?
C1 N1 B1 108.6(2) . . ?
B1 N1 H1 133.2(19) . . ?
C2 N2 H2 124(2) . . ?
C2 N2 B1 108.9(2) . . ?
B1 N2 H2 127(2) . . ?
C7 N3 C8 110.8(2) . . ?
C7 N3 C10 119.0(2) . . ?
C8 N3 C10 129.3(2) . . ?
C7 N4 C9 109.5(2) . . ?
C7 N4 C14 125.5(2) . . ?
C9 N4 C14 125.0(2) . . ?
C17 N5 C19 110.8(2) . . ?
C17 N5 C24 126.1(2) . . ?
C19 N5 C24 123.0(2) . . ?
C17 N6 C18 109.7(2) . . ?
C17 N6 C20 126.4(2) . . ?
C18 N6 C20 123.7(2) . . ?
C2 C1 N1 107.8(2) . . ?
C6 C1 N1 130.6(3) . . ?
C6 C1 C2 121.5(3) . . ?
N2 C2 C1 108.4(2) . . ?
C3 C2 N2 131.3(3) . . ?
C3 C2 C1 120.3(3) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.1(3) . . ?
C4 C3 H3 120.9 . . ?
C3 C4 H4 119.3 . . ?
C3 C4 C5 121.5(3) . . ?
C5 C4 H4 119.3 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.1(3) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 H6 121.2 . . ?
C5 C6 C1 117.6(3) . . ?
C5 C6 H6 121.2 . . ?
N3 C7 Pt1 115.22(19) . . ?
N3 C7 N4 105.2(2) . . ?
N4 C7 Pt1 139.56(19) . . ?
N3 C8 H8 126.7 . . ?
C9 C8 N3 106.5(2) . . ?
C9 C8 H8 126.7 . . ?
N4 C9 H9 126.0 . . ?
C8 C9 N4 108.0(2) . . ?
C8 C9 H9 126.0 . . ?
N3 C10 C11 110.6(2) . . ?
N3 C10 C12 107.5(2) . . ?
N3 C10 C13 104.9(2) . . ?
C11 C10 C12 111.0(2) . . ?
C11 C10 C13 110.8(2) . . ?
C12 C10 C13 111.8(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Pt1 C13 H13A 109.2 . . ?
Pt1 C13 H13B 109.2 . . ?
C10 C13 Pt1 112.25(17) . . ?
C10 C13 H13A 109.2 . . ?
C10 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
N4 C14 H14 107.4 . . ?
N4 C14 C15 111.0(2) . . ?
N4 C14 C16 110.7(2) . . ?
C15 C14 H14 107.4 . . ?
C15 C14 C16 112.7(3) . . ?
C16 C14 H14 107.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N5 C17 Pt1 122.48(17) . . ?
N5 C17 N6 104.9(2) . . ?
N6 C17 Pt1 132.5(2) . . ?
N6 C18 H18 126.1 . . ?
C19 C18 N6 107.8(2) . . ?
C19 C18 H18 126.1 . . ?
N5 C19 H19 126.6 . . ?
C18 C19 N5 106.8(3) . . ?
C18 C19 H19 126.6 . . ?
N6 C20 C21 108.3(2) . . ?
N6 C20 C22 109.6(2) . . ?
N6 C20 C23 109.7(2) . . ?
C21 C20 C22 112.3(2) . . ?
C21 C20 C23 108.4(2) . . ?
C22 C20 C23 108.5(2) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N5 C24 H24 108.1 . . ?
N5 C24 C25 110.5(2) . . ?
N5 C24 C26 109.6(2) . . ?
C25 C24 H24 108.1 . . ?
C25 C24 C26 112.2(3) . . ?
C26 C24 H24 108.1 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 116.0(2) . . ?
C28 C27 B2 120.6(2) . . ?
C32 C27 B2 123.3(2) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 C33 118.4(3) . . ?
C30 C29 C28 121.1(2) . . ?
C30 C29 C33 120.4(2) . . ?
C29 C30 H30 120.9 . . ?
C29 C30 C31 118.1(2) . . ?
C31 C30 H30 120.9 . . ?
C30 C31 C32 120.8(3) . . ?
C30 C31 C34 119.1(2) . . ?
C32 C31 C34 120.1(2) . . ?
C27 C32 H32 118.8 . . ?
C31 C32 C27 122.4(2) . . ?
C31 C32 H32 118.8 . . ?
F1A C33 C29 110.0(3) . . ?
F2A C33 F1A 106.3(4) . . ?
F2A C33 F3A 112.4(4) . . ?
F2A C33 C29 114.0(3) . . ?
F3A C33 F1A 100.5(3) . . ?
F3A C33 C29 112.6(3) . . ?
F1B C33 F3B 97.8(4) . . ?
F1B C33 C29 110.8(4) . . ?
F2B C33 F1B 108.7(5) . . ?
F2B C33 F3B 107.4(6) . . ?
F2B C33 C29 118.7(4) . . ?
F3B C33 C29 111.5(4) . . ?
F4 C34 F5 105.1(2) . . ?
F4 C34 C31 111.8(2) . . ?
F5 C34 C31 112.7(2) . . ?
F6 C34 F4 107.1(2) . . ?
F6 C34 F5 106.0(2) . . ?
F6 C34 C31 113.6(2) . . ?
C36 C35 B2 120.4(2) . . ?
C40 C35 C36 115.4(2) . . ?
C40 C35 B2 124.1(2) . . ?
C35 C36 H36 118.5 . . ?
C37 C36 C35 123.0(2) . . ?
C37 C36 H36 118.5 . . ?
C36 C37 C38 120.3(2) . . ?
C36 C37 C41 120.0(2) . . ?
C38 C37 C41 119.7(2) . . ?
C37 C38 H38 121.0 . . ?
C39 C38 C37 118.0(2) . . ?
C39 C38 H38 121.0 . . ?
C38 C39 C40 121.3(2) . . ?
C38 C39 C42 120.1(2) . . ?
C40 C39 C42 118.6(2) . . ?
C35 C40 H40 119.0 . . ?
C39 C40 C35 122.0(2) . . ?
C39 C40 H40 119.0 . . ?
F7A C41 C37 115.3(3) . . ?
F8A C41 F7A 104.9(4) . . ?
F8A C41 C37 112.6(3) . . ?
F9A C41 F7A 104.2(4) . . ?
F9A C41 F8A 104.4(4) . . ?
F9A C41 C37 114.3(4) . . ?
F7B C41 F8B 108.3(5) . . ?
F7B C41 F9B 108.5(5) . . ?
F7B C41 C37 110.5(4) . . ?
F8B C41 C37 113.8(4) . . ?
F9B C41 F8B 104.9(5) . . ?
F9B C41 C37 110.6(4) . . ?
F10 C42 F11 105.3(2) . . ?
F10 C42 F12 106.6(2) . . ?
F10 C42 C39 112.1(2) . . ?
F11 C42 F12 106.8(2) . . ?
F11 C42 C39 112.6(2) . . ?
F12 C42 C39 112.8(2) . . ?
C44 C43 C48 115.0(2) . . ?
C44 C43 B2 122.7(2) . . ?
C48 C43 B2 121.9(2) . . ?
C43 C44 H44 118.7 . . ?
C45 C44 C43 122.7(2) . . ?
C45 C44 H44 118.7 . . ?
C44 C45 C49 118.6(2) . . ?
C46 C45 C44 121.1(2) . . ?
C46 C45 C49 120.3(2) . . ?
C45 C46 H46 121.0 . . ?
C47 C46 C45 117.9(3) . . ?
C47 C46 H46 121.0 . . ?
C46 C47 C48 120.8(2) . . ?
C46 C47 C50 120.0(3) . . ?
C48 C47 C50 119.2(3) . . ?
C43 C48 H48 118.7 . . ?
C47 C48 C43 122.6(3) . . ?
C47 C48 H48 118.7 . . ?
F13 C49 F15 106.0(2) . . ?
F13 C49 C45 112.8(2) . . ?
F14 C49 F13 105.7(2) . . ?
F14 C49 F15 106.4(2) . . ?
F14 C49 C45 112.7(2) . . ?
F15 C49 C45 112.6(2) . . ?
F16 C50 F17 106.1(3) . . ?
F16 C50 F18 106.2(3) . . ?
F16 C50 C47 113.4(3) . . ?
F17 C50 F18 105.4(3) . . ?
F17 C50 C47 113.0(3) . . ?
F18 C50 C47 112.2(3) . . ?
C52 C51 C56 115.9(2) . . ?
C52 C51 B2 121.9(2) . . ?
C56 C51 B2 121.7(2) . . ?
C51 C52 H52 119.0 . . ?
C51 C52 C53 122.1(3) . . ?
C53 C52 H52 119.0 . . ?
C52 C53 C57 119.1(3) . . ?
C54 C53 C52 120.8(3) . . ?
C54 C53 C57 120.1(2) . . ?
C53 C54 H54 120.9 . . ?
C53 C54 C55 118.3(2) . . ?
C55 C54 H54 120.9 . . ?
C54 C55 C56 120.8(2) . . ?
C54 C55 C58 118.3(2) . . ?
C56 C55 C58 120.9(3) . . ?
C51 C56 H56 118.9 . . ?
C55 C56 C51 122.1(2) . . ?
C55 C56 H56 118.9 . . ?
F19 C57 F20 104.9(3) . . ?
F19 C57 F21 107.7(3) . . ?
F19 C57 C53 111.9(3) . . ?
F20 C57 C53 113.1(3) . . ?
F21 C57 F20 105.4(3) . . ?
F21 C57 C53 113.3(3) . . ?
F22 C58 F23 104.6(3) . . ?
F22 C58 F24 108.5(3) . . ?
F22 C58 C55 113.3(3) . . ?
F23 C58 C55 111.8(3) . . ?
F24 C58 F23 103.6(3) . . ?
F24 C58 C55 114.2(3) . . ?
Pt1 B1 H1A 44.9(16) . . ?
N1 B1 Pt1 112.94(19) . . ?
N1 B1 H1A 132.4(16) . . ?
N1 B1 N2 106.2(2) . . ?
N2 B1 Pt1 132.64(19) . . ?
N2 B1 H1A 118.1(16) . . ?
C35 B2 C27 111.2(2) . . ?
C35 B2 C51 113.5(2) . . ?
C43 B2 C27 111.2(2) . . ?
C43 B2 C35 103.82(19) . . ?
C43 B2 C51 114.2(2) . . ?
C51 B2 C27 103.17(19) . . ?

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
N1 C1 C2 N2 1.0(3) . . . . ?
N1 C1 C2 C3 179.1(3) . . . . ?
N1 C1 C6 C5 -177.9(3) . . . . ?
N2 C2 C3 C4 176.3(3) . . . . ?
N3 C8 C9 N4 1.0(3) . . . . ?
N3 C10 C13 Pt1 -30.5(2) . . . . ?
N6 C18 C19 N5 -0.5(3) . . . . ?
C1 N1 B1 Pt1 -150.1(2) . . . . ?
C1 N1 B1 N2 2.6(3) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C2 N2 B1 Pt1 142.9(3) . . . . ?
C2 N2 B1 N1 -2.1(3) . . . . ?
C2 C1 C6 C5 -0.8(5) . . . . ?
C2 C3 C4 C5 0.9(5) . . . . ?
C3 C4 C5 C6 -0.3(5) . . . . ?
C4 C5 C6 C1 0.3(5) . . . . ?
C6 C1 C2 N2 -176.7(3) . . . . ?
C6 C1 C2 C3 1.5(4) . . . . ?
C7 N3 C8 C9 -0.6(3) . . . . ?
C7 N3 C10 C11 146.6(2) . . . . ?
C7 N3 C10 C12 -92.0(3) . . . . ?
C7 N3 C10 C13 27.1(3) . . . . ?
C7 N4 C9 C8 -1.0(3) . . . . ?
C7 N4 C14 C15 -87.2(3) . . . . ?
C7 N4 C14 C16 146.8(3) . . . . ?
C8 N3 C7 Pt1 178.71(18) . . . . ?
C8 N3 C7 N4 0.0(3) . . . . ?
C8 N3 C10 C11 -45.3(4) . . . . ?
C8 N3 C10 C12 76.1(3) . . . . ?
C8 N3 C10 C13 -164.8(3) . . . . ?
C9 N4 C7 Pt1 -177.6(2) . . . . ?
C9 N4 C7 N3 0.6(3) . . . . ?
C9 N4 C14 C15 93.3(3) . . . . ?
C9 N4 C14 C16 -32.7(4) . . . . ?
C10 N3 C7 Pt1 -11.2(3) . . . . ?
C10 N3 C7 N4 170.1(2) . . . . ?
C10 N3 C8 C9 -169.4(3) . . . . ?
C11 C10 C13 Pt1 -149.9(2) . . . . ?
C12 C10 C13 Pt1 85.7(3) . . . . ?
C14 N4 C7 Pt1 2.8(5) . . . . ?
C14 N4 C7 N3 -178.9(2) . . . . ?
C14 N4 C9 C8 178.5(3) . . . . ?
C17 N5 C19 C18 0.7(3) . . . . ?
C17 N5 C24 C25 122.2(3) . . . . ?
C17 N5 C24 C26 -113.6(3) . . . . ?
C17 N6 C18 C19 0.1(3) . . . . ?
C17 N6 C20 C21 62.4(3) . . . . ?
C17 N6 C20 C22 -60.5(3) . . . . ?
C17 N6 C20 C23 -179.5(2) . . . . ?
C18 N6 C17 Pt1 176.10(19) . . . . ?
C18 N6 C17 N5 0.3(3) . . . . ?
C18 N6 C20 C21 -112.1(3) . . . . ?
C18 N6 C20 C22 125.1(3) . . . . ?
C18 N6 C20 C23 6.0(3) . . . . ?
C19 N5 C17 Pt1 -176.94(17) . . . . ?
C19 N5 C17 N6 -0.6(3) . . . . ?
C19 N5 C24 C25 -61.3(3) . . . . ?
C19 N5 C24 C26 62.9(3) . . . . ?
C20 N6 C17 Pt1 1.0(4) . . . . ?
C20 N6 C17 N5 -174.8(2) . . . . ?
C20 N6 C18 C19 175.4(2) . . . . ?
C24 N5 C17 Pt1 -0.1(3) . . . . ?
C24 N5 C17 N6 176.3(2) . . . . ?
C24 N5 C19 C18 -176.3(2) . . . . ?
C27 C28 C29 C30 -0.9(4) . . . . ?
C27 C28 C29 C33 176.2(2) . . . . ?
C28 C27 C32 C31 0.6(3) . . . . ?
C28 C27 B2 C35 157.4(2) . . . . ?
C28 C27 B2 C43 42.3(3) . . . . ?
C28 C27 B2 C51 -80.6(3) . . . . ?
C28 C29 C30 C31 1.0(4) . . . . ?
C28 C29 C33 F1A 52.5(4) . . . . ?
C28 C29 C33 F2A -66.7(5) . . . . ?
C28 C29 C33 F3A 163.8(3) . . . . ?
C28 C29 C33 F1B -140.1(5) . . . . ?
C28 C29 C33 F2B 93.1(7) . . . . ?
C28 C29 C33 F3B -32.4(5) . . . . ?
C29 C30 C31 C32 -0.3(4) . . . . ?
C29 C30 C31 C34 176.4(2) . . . . ?
C30 C29 C33 F1A -130.4(3) . . . . ?
C30 C29 C33 F2A 110.4(4) . . . . ?
C30 C29 C33 F3A -19.1(4) . . . . ?
C30 C29 C33 F1B 36.9(5) . . . . ?
C30 C29 C33 F2B -89.8(7) . . . . ?
C30 C29 C33 F3B 144.7(5) . . . . ?
C30 C31 C32 C27 -0.5(4) . . . . ?
C30 C31 C34 F4 -59.0(3) . . . . ?
C30 C31 C34 F5 59.2(3) . . . . ?
C30 C31 C34 F6 179.8(2) . . . . ?
C32 C27 C28 C29 0.1(3) . . . . ?
C32 C27 B2 C35 -27.0(3) . . . . ?
C32 C27 B2 C43 -142.1(2) . . . . ?
C32 C27 B2 C51 95.0(3) . . . . ?
C32 C31 C34 F4 117.7(3) . . . . ?
C32 C31 C34 F5 -124.1(2) . . . . ?
C32 C31 C34 F6 -3.6(3) . . . . ?
C33 C29 C30 C31 -176.0(2) . . . . ?
C34 C31 C32 C27 -177.1(2) . . . . ?
C35 C36 C37 C38 -0.4(4) . . . . ?
C35 C36 C37 C41 -178.3(3) . . . . ?
C36 C35 C40 C39 1.7(4) . . . . ?
C36 C35 B2 C27 -42.4(3) . . . . ?
C36 C35 B2 C43 77.2(3) . . . . ?
C36 C35 B2 C51 -158.2(2) . . . . ?
C36 C37 C38 C39 0.9(4) . . . . ?
C36 C37 C41 F7A -17.1(6) . . . . ?
C36 C37 C41 F8A -137.4(5) . . . . ?
C36 C37 C41 F9A 103.6(5) . . . . ?
C36 C37 C41 F7B -52.8(6) . . . . ?
C36 C37 C41 F8B -174.8(6) . . . . ?
C36 C37 C41 F9B 67.3(6) . . . . ?
C37 C38 C39 C40 -0.1(4) . . . . ?
C37 C38 C39 C42 178.2(3) . . . . ?
C38 C37 C41 F7A 165.1(5) . . . . ?
C38 C37 C41 F8A 44.8(6) . . . . ?
C38 C37 C41 F9A -74.2(6) . . . . ?
C38 C37 C41 F7B 129.4(6) . . . . ?
C38 C37 C41 F8B 7.3(7) . . . . ?
C38 C37 C41 F9B -110.5(6) . . . . ?
C38 C39 C40 C35 -1.3(4) . . . . ?
C38 C39 C42 F10 -102.2(3) . . . . ?
C38 C39 C42 F11 139.2(3) . . . . ?
C38 C39 C42 F12 18.2(4) . . . . ?
C40 C35 C36 C37 -0.9(4) . . . . ?
C40 C35 B2 C27 141.7(2) . . . . ?
C40 C35 B2 C43 -98.7(3) . . . . ?
C40 C35 B2 C51 25.9(4) . . . . ?
C40 C39 C42 F10 76.1(3) . . . . ?
C40 C39 C42 F11 -42.5(4) . . . . ?
C40 C39 C42 F12 -163.5(2) . . . . ?
C41 C37 C38 C39 178.7(3) . . . . ?
C42 C39 C40 C35 -179.6(2) . . . . ?
C43 C44 C45 C46 0.4(4) . . . . ?
C43 C44 C45 C49 179.6(2) . . . . ?
C44 C43 C48 C47 0.5(4) . . . . ?
C44 C43 B2 C27 -153.9(2) . . . . ?
C44 C43 B2 C35 86.5(3) . . . . ?
C44 C43 B2 C51 -37.6(3) . . . . ?
C44 C45 C46 C47 0.6(4) . . . . ?
C44 C45 C49 F13 56.9(3) . . . . ?
C44 C45 C49 F14 -62.7(3) . . . . ?
C44 C45 C49 F15 176.9(2) . . . . ?
C45 C46 C47 C48 -1.0(4) . . . . ?
C45 C46 C47 C50 178.4(2) . . . . ?
C46 C45 C49 F13 -123.9(3) . . . . ?
C46 C45 C49 F14 116.5(3) . . . . ?
C46 C45 C49 F15 -4.0(4) . . . . ?
C46 C47 C48 C43 0.4(4) . . . . ?
C46 C47 C50 F16 -15.7(4) . . . . ?
C46 C47 C50 F17 105.0(3) . . . . ?
C46 C47 C50 F18 -136.1(3) . . . . ?
C48 C43 C44 C45 -1.0(3) . . . . ?
C48 C43 B2 C27 34.4(3) . . . . ?
C48 C43 B2 C35 -85.2(3) . . . . ?
C48 C43 B2 C51 150.7(2) . . . . ?
C48 C47 C50 F16 163.7(3) . . . . ?
C48 C47 C50 F17 -75.5(4) . . . . ?
C48 C47 C50 F18 43.4(4) . . . . ?
C49 C45 C46 C47 -178.5(2) . . . . ?
C50 C47 C48 C43 -179.0(2) . . . . ?
C51 C52 C53 C54 -0.1(4) . . . . ?
C51 C52 C53 C57 178.7(3) . . . . ?
C52 C51 C56 C55 0.7(4) . . . . ?
C52 C51 B2 C27 88.2(3) . . . . ?
C52 C51 B2 C35 -151.4(2) . . . . ?
C52 C51 B2 C43 -32.6(3) . . . . ?
C52 C53 C54 C55 0.8(4) . . . . ?
C52 C53 C57 F19 -74.1(4) . . . . ?
C52 C53 C57 F20 44.1(4) . . . . ?
C52 C53 C57 F21 164.0(3) . . . . ?
C53 C54 C55 C56 -0.7(4) . . . . ?
C53 C54 C55 C58 179.9(3) . . . . ?
C54 C53 C57 F19 104.6(3) . . . . ?
C54 C53 C57 F20 -137.1(3) . . . . ?
C54 C53 C57 F21 -17.3(5) . . . . ?
C54 C55 C56 C51 0.0(4) . . . . ?
C54 C55 C58 F22 69.6(4) . . . . ?
C54 C55 C58 F23 -48.2(4) . . . . ?
C54 C55 C58 F24 -165.5(3) . . . . ?
C56 C51 C52 C53 -0.7(4) . . . . ?
C56 C51 B2 C27 -83.4(3) . . . . ?
C56 C51 B2 C35 37.0(3) . . . . ?
C56 C51 B2 C43 155.7(2) . . . . ?
C56 C55 C58 F22 -109.8(3) . . . . ?
C56 C55 C58 F23 132.4(3) . . . . ?
C56 C55 C58 F24 15.1(5) . . . . ?
C57 C53 C54 C55 -177.9(3) . . . . ?
C58 C55 C56 C51 179.3(3) . . . . ?
B1 N1 C1 C2 -2.2(3) . . . . ?
B1 N1 C1 C6 175.1(3) . . . . ?
B1 N2 C2 C1 0.7(3) . . . . ?
B1 N2 C2 C3 -177.2(3) . . . . ?
B2 C27 C28 C29 176.0(2) . . . . ?
B2 C27 C32 C31 -175.2(2) . . . . ?
B2 C35 C36 C37 -177.1(3) . . . . ?
B2 C35 C40 C39 177.8(2) . . . . ?
B2 C43 C44 C45 -173.2(2) . . . . ?
B2 C43 C48 C47 172.8(2) . . . . ?
B2 C51 C52 C53 -172.8(2) . . . . ?
B2 C51 C56 C55 172.9(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 219.5 80.2 '2 CH2Cl2'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2CL2, pentane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2033934'
loop_
_audit_author_name
_audit_author_address
'Francisco Jose Fernandez de Cordova Martin'
;Instituto de Investigaciones Quimicas (CSIC US)
Spain
;
_audit_update_record             
;
2020-09-25 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;

# start Validation Reply Form ================================================

_vrf_PLAT201_shelx               
;
PROBLEM: Type_2 Test for isotropic non-H atoms in main residue(s)
RESPONSE:  This test reports on non-hydrogen atoms that were refined with 
isotropic displacement parameters only in the main residue. Such a practice 
is unusual by modern standards and only needed for minor disorder modelling. 
The crystal displayed high disorder due to the presence of the anion BArF and 
selected F in this anion atoms could not be anisotropically refined. A better
crystal could not be obtained to get better data.
;

_vrf_PLAT971_shelx               
;
PROBLEM: Type_2 Test for large positive calculated residual density
RESPONSE: Larger than expected residual density maximum outside metal 
atom locations. This might be caused by unaccounted for twinning, wrongly assigned 
atom types, unaccounted for solvent and other model errors.The residual density 
around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no
twinning was found. The residual density accounted for large number electrons in
the platinum atom. New crystallization trials did not provide better crystals.

;

_vrf_PLAT973_shelx               
;
PROBLEM: Type_2 Test for large positive density on metal atom
RESPONSE:  Larger than expected residual density maximum on metal atom location.  
This might be caused by unaccounted for twinning, wrongly assigned 
atom types and other model errors.Another cause may be a SHELXL 'DAMP 0 0' 
instruction for a non-converged refinement.The residual density 
around the metal was checked by Squeeze (PLATON) and did not belong to solvent and no
twinning was found. The residual density accounted for large number electrons in
the platinum atom. New crystallization trials did not provide better crystals.

;

# end Validation Reply Form ==================================================

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_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

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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'

_cell_length_a                   13.0010(7)
_cell_length_b                   26.3167(13)
_cell_length_c                   21.0636(10)
_cell_angle_alpha                90
_cell_angle_beta                 101.229(2)
_cell_angle_gamma                90
_cell_volume                     7068.8(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    9897
_cell_measurement_theta_min      2.4037
_cell_measurement_theta_max      22.6147

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_F_000             3208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.085
_exptl_absorpt_coefficient_mu    1.142
_shelx_estimated_absorpt_T_min   0.821
_shelx_estimated_absorpt_T_max   0.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.56086
_diffrn_radiation_type           AgK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            83935
_diffrn_reflns_av_unetI/netI     0.0644
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.671
_diffrn_reflns_theta_max         23.907
_diffrn_reflns_theta_full        19.665
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             21793
_reflns_number_gt                16194
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0377P)²+16.6316P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         21793
_refine_ls_number_parameters     883
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0506
_refine_ls_wR_factor_ref         0.1148
_refine_ls_wR_factor_gt          0.1050
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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_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_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) . . . . ?

_refine_diff_density_max         3.036
_refine_diff_density_min         -1.624
_refine_diff_density_rms         0.142

