# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_mo_BB_LDE_Ptnbe3_hr_0m
_database_code_depnum_ccdc_archive 'CCDC 1966140'
loop_
_audit_author_name
_audit_author_address
'Daniel Kratzert'
;Albert Ludwigs Universitaet Freiburg
Germany
;
_audit_update_record             
;
2020-02-07 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif by Daniel Kratzert, Freiburg 2019,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C21 H30 Pt'
_chemical_formula_moiety         'C21 H30 Pt'
_chemical_formula_weight         477.54
_chemical_melting_point          ?
_chemical_absolute_configuration ad
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   5.5867(13)
_cell_length_b                   10.710(3)
_cell_length_c                   28.421(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1700.5(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9535
_cell_measurement_theta_min      2.3815
_cell_measurement_theta_max      37.732
_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were grown by cooling a saturated solution of the compound in petrolether to -78 °C.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    8.247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7114
_exptl_absorpt_correction_T_max  0.8626
_exptl_absorpt_process_details   
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            142301
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_av_R_equivalents  0.1048
_diffrn_reflns_theta_min         2.032
_diffrn_reflns_theta_max         37.844
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       48
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9167
_reflns_number_gt                8639
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.771
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    1.000
_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       'Bruker BIS V6.2.11/2019-03-14'
_computing_cell_refinement       'SAINT V8.40A'
_computing_data_reduction        'SAINT V8.40A'
_computing_structure_solution    
'SHELXTL XT - CRYSTAL STRUCTURE SOLUTION VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
A residual density peak above the carbon-platinum plane turned out to be
originated from a 7% rotational disorder of one of the norbornene ligands
forcing the platinum to posess a second position 0.66 A above the carbon-
platinum plane. The rotational disorder was modelled using distance restraints
to make equal bondlengs of similar length and with displacement parameter
restraints to apply similar displacement parameters to atoms in close proximity.
The disorder model was applied using the program DSR and has been modified to
fit the special requirements of the structure.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0162P)²+0.0097P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         9167
_refine_ls_number_parameters     272
_refine_ls_number_restraints     962
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0183
_refine_ls_wR_factor_ref         0.0376
_refine_ls_wR_factor_gt          0.0372
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_restrained_S_all      0.904
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.707
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   0.012(3)
_refine_ls_abs_structure_details 
;
 Flack x determined using 3546 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_vrf_PLAT987_mo_BB_LDE_Ptnbe3_hr_0m 
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: After allowing for possible systematic errors, the Flack parameter
does not differ significantly from zero.
;

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 0.29400(2) 0.40873(2) 0.36343(2) 0.01442(3) Uani 0.9334(7) 1 d D U P A 1
Pt2 Pt 0.3998(3) 0.38378(13) 0.35996(6) 0.0152(4) Uani 0.0666(7) 1 d D U P A 2
C1_1 C 0.1719(5) 0.2818(3) 0.26427(10) 0.0251(6) Uani 1 1 d D . . . .
H1_1 H 0.120190 0.194247 0.271006 0.030 Uiso 1 1 calc R U . . .
C2_1 C 0.0898(5) 0.3808(3) 0.29959(11) 0.0243(5) Uani 1 1 d D . . . .
H2_1 H -0.085575 0.398949 0.301026 0.029 Uiso 1 1 calc R U . A 1
C3_1 C 0.2447(4) 0.4833(2) 0.29350(10) 0.0195(5) Uani 1 1 d D . . . .
H3_1 H 0.169661 0.567740 0.290858 0.023 Uiso 1 1 calc R U . A 1
C4_1 C 0.4206(5) 0.4455(2) 0.25508(9) 0.0187(4) Uani 1 1 d D . . . .
H4_1 H 0.574628 0.492996 0.254283 0.022 Uiso 1 1 calc R U . . .
C5_1 C 0.2714(6) 0.4471(3) 0.20881(10) 0.0252(5) Uani 1 1 d D . . . .
H5A_1 H 0.182342 0.526458 0.205387 0.030 Uiso 1 1 calc R U . . .
H5AB_1 H 0.375057 0.434984 0.180921 0.030 Uiso 1 1 calc R U . . .
C6_1 C 0.0980(5) 0.3350(3) 0.21549(11) 0.0296(6) Uani 1 1 d D . . . .
H6A_1 H -0.070895 0.363065 0.215621 0.035 Uiso 1 1 calc R U . . .
H6AB_1 H 0.119893 0.272068 0.190359 0.035 Uiso 1 1 calc R U . . .
C7_1 C 0.4429(5) 0.3043(3) 0.26265(11) 0.0205(5) Uani 1 1 d D . . . .
H7A_1 H 0.521474 0.261226 0.235968 0.025 Uiso 1 1 calc R U . . .
H7AB_1 H 0.523753 0.282681 0.292554 0.025 Uiso 1 1 calc R U . . .
C1_2 C 0.4368(4) 0.5856(3) 0.44801(8) 0.0168(4) Uani 1 1 d D . . . .
H1_2 H 0.371155 0.544951 0.476943 0.020 Uiso 1 1 calc R U . . .
C2_2 C 0.5463(4) 0.4981(2) 0.41179(9) 0.0158(4) Uani 1 1 d D . . . .
H2_2 H 0.694039 0.451049 0.420750 0.019 Uiso 1 1 calc R U . A 1
C3_2 C 0.5471(4) 0.56441(19) 0.36867(8) 0.0140(4) Uani 1 1 d D . . . .
H3_2 H 0.695228 0.561519 0.348937 0.017 Uiso 1 1 calc R U . A 1
C4_2 C 0.4378(4) 0.6912(2) 0.37934(9) 0.0145(4) Uani 1 1 d D . . . .
H4_2 H 0.373665 0.737956 0.351619 0.017 Uiso 1 1 calc R U . . .
C5_2 C 0.6292(5) 0.7610(2) 0.40914(9) 0.0172(4) Uani 1 1 d D . . . .
H5A_2 H 0.788335 0.757533 0.393874 0.021 Uiso 1 1 calc R U . . .
H5AB_2 H 0.583878 0.849352 0.414079 0.021 Uiso 1 1 calc R U . . .
C6_2 C 0.6287(5) 0.6876(2) 0.45628(9) 0.0178(4) Uani 1 1 d D . . . .
H6A_2 H 0.787389 0.650027 0.462600 0.021 Uiso 1 1 calc R U . . .
H6AB_2 H 0.584259 0.742429 0.482935 0.021 Uiso 1 1 calc R U . . .
C7_2 C 0.2548(4) 0.6595(2) 0.41798(9) 0.0174(4) Uani 1 1 d D . . . .
H7A_2 H 0.121036 0.607203 0.406423 0.021 Uiso 1 1 calc R U . . .
H7AB_2 H 0.192220 0.734480 0.434249 0.021 Uiso 1 1 calc R U . . .
C1_3 C 0.085(5) 0.148(3) 0.3924(12) 0.026(4) Uani 0.0666(7) 1 d D U P A 2
H1_3 H -0.049968 0.140682 0.369417 0.032 Uiso 0.0666(7) 1 calc R U P A 2
C2_3 C 0.323(6) 0.187(3) 0.3718(10) 0.027(4) Uani 0.0666(7) 1 d D U P A 2
H2_3 H 0.401278 0.126324 0.349982 0.033 Uiso 0.0666(7) 1 calc R U P A 2
C3_3 C 0.462(5) 0.230(3) 0.4097(10) 0.024(4) Uani 0.0666(7) 1 d D U P A 2
H3_3 H 0.628537 0.197624 0.412749 0.028 Uiso 0.0666(7) 1 calc R U P A 2
C4_3 C 0.302(6) 0.224(3) 0.4526(9) 0.023(3) Uani 0.0666(7) 1 d D U P A 2
H4_3 H 0.348590 0.280282 0.479274 0.027 Uiso 0.0666(7) 1 calc R U P A 2
C5_3 C 0.283(11) 0.084(4) 0.465(2) 0.026(5) Uani 0.0666(7) 1 d D U P A 2
H5A_3 H 0.202306 0.070801 0.495409 0.031 Uiso 0.0666(7) 1 calc R U P A 2
H5AB_3 H 0.443194 0.043842 0.465766 0.031 Uiso 0.0666(7) 1 calc R U P A 2
C6_3 C 0.131(13) 0.032(3) 0.4236(19) 0.029(5) Uani 0.0666(7) 1 d D U P A 2
H6A_3 H 0.219264 -0.032964 0.405989 0.035 Uiso 0.0666(7) 1 calc R U P A 2
H6AB_3 H -0.021574 -0.003558 0.435190 0.035 Uiso 0.0666(7) 1 calc R U P A 2
C7_3 C 0.052(5) 0.248(3) 0.4313(13) 0.028(5) Uani 0.0666(7) 1 d D U P A 2
H7A_3 H 0.032888 0.333262 0.418720 0.033 Uiso 0.0666(7) 1 calc R U P A 2
H7AB_3 H -0.079806 0.227610 0.453322 0.033 Uiso 0.0666(7) 1 calc R U P A 2
C1_4 C 0.4176(6) 0.1938(3) 0.43699(11) 0.0242(6) Uani 0.9334(7) 1 d D U P A 1
H1_4 H 0.565276 0.222215 0.453755 0.029 Uiso 0.9334(7) 1 calc R U P A 1
C2_4 C 0.2345(6) 0.2949(2) 0.42574(11) 0.0269(7) Uani 0.9334(7) 1 d D U P A 1
H2_4 H 0.149924 0.334846 0.452848 0.032 Uiso 0.9334(7) 1 calc R U P A 1
C3_4 C 0.0925(5) 0.2488(3) 0.38870(14) 0.0280(7) Uani 0.9334(7) 1 d D U P A 1
H3_4 H -0.084924 0.258401 0.391625 0.034 Uiso 0.9334(7) 1 calc R U P A 1
C4_4 C 0.1898(6) 0.1177(2) 0.37821(13) 0.0266(6) Uani 0.9334(7) 1 d D U P A 1
H4_4 H 0.150188 0.082800 0.346519 0.032 Uiso 0.9334(7) 1 calc R U P A 1
C5_4 C 0.1124(11) 0.0372(4) 0.4212(2) 0.0381(10) Uani 0.9334(7) 1 d D U P A 1
H5A_4 H -0.059560 0.048862 0.428324 0.046 Uiso 0.9334(7) 1 calc R U P A 1
H5AB_4 H 0.143753 -0.052493 0.415508 0.046 Uiso 0.9334(7) 1 calc R U P A 1
C6_4 C 0.2719(11) 0.0882(4) 0.46164(19) 0.0338(8) Uani 0.9334(7) 1 d D U P A 1
H6A_4 H 0.378900 0.022450 0.474135 0.041 Uiso 0.9334(7) 1 calc R U P A 1
H6AB_4 H 0.173251 0.121930 0.487643 0.041 Uiso 0.9334(7) 1 calc R U P A 1
C7_4 C 0.4563(5) 0.1348(3) 0.38890(11) 0.0206(5) Uani 0.9334(7) 1 d D U P A 1
H7A_4 H 0.543757 0.054554 0.390631 0.025 Uiso 0.9334(7) 1 calc R U P A 1
H7AB_4 H 0.536413 0.191902 0.366483 0.025 Uiso 0.9334(7) 1 calc R U P A 1


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 C3_1 2.160(3) . ?
Pt1 C2_1 2.164(3) . ?
Pt1 C3_4 2.171(3) . ?
Pt1 C2_4 2.175(3) . ?
Pt1 C2_2 2.189(2) . ?
Pt1 C3_2 2.191(2) . ?
Pt2 C2_2 2.083(3) . ?
Pt2 C3_2 2.117(3) . ?
Pt2 C2_3 2.18(3) . ?
Pt2 C3_3 2.20(3) . ?
Pt2 C3_1 2.335(3) . ?
Pt2 C2_1 2.438(3) . ?
C1_1 C2_1 1.530(4) . ?
C1_1 C7_1 1.534(4) . ?
C1_1 C6_1 1.555(5) . ?
C1_1 H1_1 1.0000 . ?
C2_1 C3_1 1.408(4) . ?
C2_1 H2_1 1.0000 . ?
C3_1 C4_1 1.524(4) . ?
C3_1 H3_1 1.0000 . ?
C4_1 C7_1 1.532(4) . ?
C4_1 C5_1 1.557(4) . ?
C4_1 H4_1 1.0000 . ?
C5_1 C6_1 1.554(5) . ?
C5_1 H5A_1 0.9900 . ?
C5_1 H5AB_1 0.9900 . ?
C6_1 H6A_1 0.9900 . ?
C6_1 H6AB_1 0.9900 . ?
C7_1 H7A_1 0.9900 . ?
C7_1 H7AB_1 0.9900 . ?
C1_2 C2_2 1.521(3) . ?
C1_2 C7_2 1.546(3) . ?
C1_2 C6_2 1.549(4) . ?
C1_2 H1_2 1.0000 . ?
C2_2 C3_2 1.416(3) . ?
C2_2 H2_2 1.0000 . ?
C3_2 C4_2 1.519(3) . ?
C3_2 H3_2 1.0000 . ?
C4_2 C7_2 1.538(3) . ?
C4_2 C5_2 1.555(3) . ?
C4_2 H4_2 1.0000 . ?
C5_2 C6_2 1.553(4) . ?
C5_2 H5A_2 0.9900 . ?
C5_2 H5AB_2 0.9900 . ?
C6_2 H6A_2 0.9900 . ?
C6_2 H6AB_2 0.9900 . ?
C7_2 H7A_2 0.9900 . ?
C7_2 H7AB_2 0.9900 . ?
C1_3 C2_3 1.509(19) . ?
C1_3 C6_3 1.549(18) . ?
C1_3 C7_3 1.547(18) . ?
C1_3 H1_3 1.0000 . ?
C2_3 C3_3 1.41(2) . ?
C2_3 H2_3 1.0000 . ?
C3_3 C4_3 1.511(19) . ?
C3_3 H3_3 1.0000 . ?
C4_3 C7_3 1.545(18) . ?
C4_3 C5_3 1.548(18) . ?
C4_3 H4_3 1.0000 . ?
C5_3 C6_3 1.550(19) . ?
C5_3 H5A_3 0.9900 . ?
C5_3 H5AB_3 0.9900 . ?
C6_3 H6A_3 0.9900 . ?
C6_3 H6AB_3 0.9900 . ?
C7_3 H7A_3 0.9900 . ?
C7_3 H7AB_3 0.9900 . ?
C1_4 C2_4 1.524(5) . ?
C1_4 C7_4 1.521(4) . ?
C1_4 C6_4 1.559(5) . ?
C1_4 H1_4 1.0000 . ?
C2_4 C3_4 1.408(5) . ?
C2_4 H2_4 1.0000 . ?
C3_4 C4_4 1.535(4) . ?
C3_4 H3_4 1.0000 . ?
C4_4 C7_4 1.531(5) . ?
C4_4 C5_4 1.556(6) . ?
C4_4 H4_4 1.0000 . ?
C5_4 C6_4 1.553(6) . ?
C5_4 H5A_4 0.9900 . ?
C5_4 H5AB_4 0.9900 . ?
C6_4 H6A_4 0.9900 . ?
C6_4 H6AB_4 0.9900 . ?
C7_4 H7A_4 0.9900 . ?
C7_4 H7AB_4 0.9900 . ?

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
C3_1 Pt1 C2_1 38.02(10) . . ?
C3_1 Pt1 C3_4 121.99(12) . . ?
C2_1 Pt1 C3_4 83.97(13) . . ?
C3_1 Pt1 C2_4 159.53(12) . . ?
C2_1 Pt1 C2_4 121.64(13) . . ?
C3_4 Pt1 C2_4 37.79(14) . . ?
C3_1 Pt1 C2_2 119.88(9) . . ?
C2_1 Pt1 C2_2 157.86(10) . . ?
C3_4 Pt1 C2_2 118.11(12) . . ?
C2_4 Pt1 C2_2 80.35(11) . . ?
C3_1 Pt1 C3_2 82.16(9) . . ?
C2_1 Pt1 C3_2 120.15(10) . . ?
C3_4 Pt1 C3_2 155.80(12) . . ?
C2_4 Pt1 C3_2 118.01(11) . . ?
C2_2 Pt1 C3_2 37.72(9) . . ?
C2_2 Pt2 C3_2 39.40(10) . . ?
C2_2 Pt2 C2_3 122.5(8) . . ?
C3_2 Pt2 C2_3 160.7(9) . . ?
C2_2 Pt2 C3_3 85.6(8) . . ?
C3_2 Pt2 C3_3 123.2(8) . . ?
C2_3 Pt2 C3_3 37.6(7) . . ?
C2_2 Pt2 C3_1 116.71(11) . . ?
C3_2 Pt2 C3_1 79.74(10) . . ?
C2_3 Pt2 C3_1 119.5(9) . . ?
C3_3 Pt2 C3_1 157.1(8) . . ?
C2_2 Pt2 C2_1 141.68(12) . . ?
C3_2 Pt2 C2_1 111.75(11) . . ?
C2_3 Pt2 C2_1 87.4(9) . . ?
C3_3 Pt2 C2_1 123.7(7) . . ?
C3_1 Pt2 C2_1 34.23(10) . . ?
C2_1 C1_1 C7_1 102.0(2) . . ?
C2_1 C1_1 C6_1 104.6(3) . . ?
C7_1 C1_1 C6_1 100.2(2) . . ?
C2_1 C1_1 H1_1 116.0 . . ?
C7_1 C1_1 H1_1 116.0 . . ?
C6_1 C1_1 H1_1 116.0 . . ?
C3_1 C2_1 C1_1 106.0(2) . . ?
C3_1 C2_1 Pt1 70.82(15) . . ?
C1_1 C2_1 Pt1 119.2(2) . . ?
C3_1 C2_1 Pt2 68.89(15) . . ?
C1_1 C2_1 Pt2 104.96(19) . . ?
C3_1 C2_1 H2_1 117.1 . . ?
C1_1 C2_1 H2_1 117.1 . . ?
Pt1 C2_1 H2_1 117.1 . . ?
C2_1 C3_1 C4_1 106.1(2) . . ?
C2_1 C3_1 Pt1 71.17(17) . . ?
C4_1 C3_1 Pt1 118.62(17) . . ?
C2_1 C3_1 Pt2 76.88(17) . . ?
C4_1 C3_1 Pt2 102.65(16) . . ?
C2_1 C3_1 H3_1 117.2 . . ?
C4_1 C3_1 H3_1 117.2 . . ?
Pt1 C3_1 H3_1 117.2 . . ?
C3_1 C4_1 C7_1 102.4(2) . . ?
C3_1 C4_1 C5_1 104.9(2) . . ?
C7_1 C4_1 C5_1 100.0(2) . . ?
C3_1 C4_1 H4_1 115.8 . . ?
C7_1 C4_1 H4_1 115.8 . . ?
C5_1 C4_1 H4_1 115.8 . . ?
C6_1 C5_1 C4_1 102.8(2) . . ?
C6_1 C5_1 H5A_1 111.2 . . ?
C4_1 C5_1 H5A_1 111.2 . . ?
C6_1 C5_1 H5AB_1 111.2 . . ?
C4_1 C5_1 H5AB_1 111.2 . . ?
H5A_1 C5_1 H5AB_1 109.1 . . ?
C1_1 C6_1 C5_1 103.1(2) . . ?
C1_1 C6_1 H6A_1 111.1 . . ?
C5_1 C6_1 H6A_1 111.1 . . ?
C1_1 C6_1 H6AB_1 111.1 . . ?
C5_1 C6_1 H6AB_1 111.1 . . ?
H6A_1 C6_1 H6AB_1 109.1 . . ?
C1_1 C7_1 C4_1 94.5(2) . . ?
C1_1 C7_1 H7A_1 112.8 . . ?
C4_1 C7_1 H7A_1 112.8 . . ?
C1_1 C7_1 H7AB_1 112.8 . . ?
C4_1 C7_1 H7AB_1 112.8 . . ?
H7A_1 C7_1 H7AB_1 110.3 . . ?
C2_2 C1_2 C7_2 101.92(19) . . ?
C2_2 C1_2 C6_2 104.98(19) . . ?
C7_2 C1_2 C6_2 100.2(2) . . ?
C2_2 C1_2 H1_2 115.9 . . ?
C7_2 C1_2 H1_2 115.9 . . ?
C6_2 C1_2 H1_2 115.9 . . ?
C3_2 C2_2 C1_2 106.16(19) . . ?
C3_2 C2_2 Pt2 71.58(14) . . ?
C1_2 C2_2 Pt2 133.05(18) . . ?
C3_2 C2_2 Pt1 71.21(13) . . ?
C1_2 C2_2 Pt1 115.79(16) . . ?
C3_2 C2_2 H2_2 118.1 . . ?
C1_2 C2_2 H2_2 118.1 . . ?
Pt1 C2_2 H2_2 118.1 . . ?
C2_2 C3_2 C4_2 105.90(19) . . ?
C2_2 C3_2 Pt2 69.02(14) . . ?
C4_2 C3_2 Pt2 133.13(17) . . ?
C2_2 C3_2 Pt1 71.06(13) . . ?
C4_2 C3_2 Pt1 115.72(15) . . ?
C2_2 C3_2 H3_2 118.2 . . ?
C4_2 C3_2 H3_2 118.2 . . ?
Pt1 C3_2 H3_2 118.2 . . ?
C3_2 C4_2 C7_2 102.29(19) . . ?
C3_2 C4_2 C5_2 105.17(18) . . ?
C7_2 C4_2 C5_2 100.0(2) . . ?
C3_2 C4_2 H4_2 115.8 . . ?
C7_2 C4_2 H4_2 115.8 . . ?
C5_2 C4_2 H4_2 115.8 . . ?
C6_2 C5_2 C4_2 103.04(19) . . ?
C6_2 C5_2 H5A_2 111.2 . . ?
C4_2 C5_2 H5A_2 111.2 . . ?
C6_2 C5_2 H5AB_2 111.2 . . ?
C4_2 C5_2 H5AB_2 111.2 . . ?
H5A_2 C5_2 H5AB_2 109.1 . . ?
C1_2 C6_2 C5_2 103.12(19) . . ?
C1_2 C6_2 H6A_2 111.1 . . ?
C5_2 C6_2 H6A_2 111.1 . . ?
C1_2 C6_2 H6AB_2 111.1 . . ?
C5_2 C6_2 H6AB_2 111.1 . . ?
H6A_2 C6_2 H6AB_2 109.1 . . ?
C4_2 C7_2 C1_2 94.00(16) . . ?
C4_2 C7_2 H7A_2 112.9 . . ?
C1_2 C7_2 H7A_2 112.9 . . ?
C4_2 C7_2 H7AB_2 112.9 . . ?
C1_2 C7_2 H7AB_2 112.9 . . ?
H7A_2 C7_2 H7AB_2 110.3 . . ?
C2_3 C1_3 C6_3 107(2) . . ?
C2_3 C1_3 C7_3 101.1(17) . . ?
C6_3 C1_3 C7_3 99(2) . . ?
C2_3 C1_3 H1_3 115.7 . . ?
C6_3 C1_3 H1_3 115.7 . . ?
C7_3 C1_3 H1_3 115.7 . . ?
C3_3 C2_3 C1_3 106.2(16) . . ?
C3_3 C2_3 Pt2 72.0(10) . . ?
C1_3 C2_3 Pt2 120(2) . . ?
C3_3 C2_3 H2_3 116.6 . . ?
C1_3 C2_3 H2_3 116.6 . . ?
Pt2 C2_3 H2_3 116.6 . . ?
C2_3 C3_3 C4_3 106.2(16) . . ?
C2_3 C3_3 Pt2 70.5(10) . . ?
C4_3 C3_3 Pt2 117(2) . . ?
C2_3 C3_3 H3_3 117.7 . . ?
C4_3 C3_3 H3_3 117.7 . . ?
Pt2 C3_3 H3_3 117.7 . . ?
C3_3 C4_3 C7_3 102.1(16) . . ?
C3_3 C4_3 C5_3 105(2) . . ?
C7_3 C4_3 C5_3 101(2) . . ?
C3_3 C4_3 H4_3 115.6 . . ?
C7_3 C4_3 H4_3 115.6 . . ?
C5_3 C4_3 H4_3 115.6 . . ?
C4_3 C5_3 C6_3 102.4(16) . . ?
C4_3 C5_3 H5A_3 111.3 . . ?
C6_3 C5_3 H5A_3 111.3 . . ?
C4_3 C5_3 H5AB_3 111.3 . . ?
C6_3 C5_3 H5AB_3 111.3 . . ?
H5A_3 C5_3 H5AB_3 109.2 . . ?
C1_3 C6_3 C5_3 103.8(16) . . ?
C1_3 C6_3 H6A_3 111.0 . . ?
C5_3 C6_3 H6A_3 111.0 . . ?
C1_3 C6_3 H6AB_3 111.0 . . ?
C5_3 C6_3 H6AB_3 111.0 . . ?
H6A_3 C6_3 H6AB_3 109.0 . . ?
C4_3 C7_3 C1_3 93.5(14) . . ?
C4_3 C7_3 H7A_3 113.0 . . ?
C1_3 C7_3 H7A_3 113.0 . . ?
C4_3 C7_3 H7AB_3 113.0 . . ?
C1_3 C7_3 H7AB_3 113.0 . . ?
H7A_3 C7_3 H7AB_3 110.4 . . ?
C2_4 C1_4 C7_4 101.6(2) . . ?
C2_4 C1_4 C6_4 105.0(3) . . ?
C7_4 C1_4 C6_4 100.2(3) . . ?
C2_4 C1_4 H1_4 115.9 . . ?
C7_4 C1_4 H1_4 115.9 . . ?
C6_4 C1_4 H1_4 115.9 . . ?
C3_4 C2_4 C1_4 106.6(2) . . ?
C3_4 C2_4 Pt1 70.95(18) . . ?
C1_4 C2_4 Pt1 117.8(2) . . ?
C3_4 C2_4 H2_4 117.4 . . ?
C1_4 C2_4 H2_4 117.4 . . ?
Pt1 C2_4 H2_4 117.4 . . ?
C2_4 C3_4 C4_4 105.4(3) . . ?
C2_4 C3_4 Pt1 71.26(16) . . ?
C4_4 C3_4 Pt1 118.3(2) . . ?
C2_4 C3_4 H3_4 117.4 . . ?
C4_4 C3_4 H3_4 117.4 . . ?
Pt1 C3_4 H3_4 117.4 . . ?
C7_4 C4_4 C3_4 101.3(2) . . ?
C7_4 C4_4 C5_4 100.4(3) . . ?
C3_4 C4_4 C5_4 104.8(3) . . ?
C7_4 C4_4 H4_4 116.0 . . ?
C3_4 C4_4 H4_4 116.0 . . ?
C5_4 C4_4 H4_4 116.0 . . ?
C6_4 C5_4 C4_4 103.1(3) . . ?
C6_4 C5_4 H5A_4 111.1 . . ?
C4_4 C5_4 H5A_4 111.1 . . ?
C6_4 C5_4 H5AB_4 111.1 . . ?
C4_4 C5_4 H5AB_4 111.1 . . ?
H5A_4 C5_4 H5AB_4 109.1 . . ?
C5_4 C6_4 C1_4 102.8(3) . . ?
C5_4 C6_4 H6A_4 111.2 . . ?
C1_4 C6_4 H6A_4 111.2 . . ?
C5_4 C6_4 H6AB_4 111.2 . . ?
C1_4 C6_4 H6AB_4 111.2 . . ?
H6A_4 C6_4 H6AB_4 109.1 . . ?
C1_4 C7_4 C4_4 95.2(3) . . ?
C1_4 C7_4 H7A_4 112.7 . . ?
C4_4 C7_4 H7A_4 112.7 . . ?
C1_4 C7_4 H7AB_4 112.7 . . ?
C4_4 C7_4 H7AB_4 112.7 . . ?
H7A_4 C7_4 H7AB_4 110.2 . . ?

####################################################################### 
# 
# 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_BB_LDE21_0m_b
_database_code_depnum_ccdc_archive 'CCDC 1966141'
loop_
_audit_author_name
_audit_author_address
'Burkhard Butschke' 'Albert Ludwigs Universitaet Freiburg'
_audit_update_record             
;
2019-11-16 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
;
_audit_creation_method           'FinalCif by Daniel Kratzert, Freiburg 2019'
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C74 H63 Au B Cl6 F24 P Pt'
_chemical_formula_moiety         'C32 H12 B F24, C39 H45 Au P Pt, 3(C H2 Cl2)'
_chemical_formula_weight         2054.78
_chemical_melting_point          ?
_chemical_absolute_configuration ad
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   12.7747(6)
_cell_length_b                   12.7853(6)
_cell_length_c                   13.1193(6)
_cell_angle_alpha                82.1010(10)
_cell_angle_beta                 88.7640(10)
_cell_angle_gamma                64.2590(10)
_cell_volume                     1910.06(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    100.0
_cell_measurement_reflns_used    9800
_cell_measurement_theta_min      2.4175
_cell_measurement_theta_max      30.335
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'The crystals were obtained at -78 °C from a solution of the compound dissolvedin methylene chloride saturated at -50 °C.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    4.079
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7009
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.822
_shelx_estimated_absorpt_T_max   0.923
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100.0
_diffrn_ambient_environment      ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          ?
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            289821
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_theta_min         1.890
_diffrn_reflns_theta_max         30.592
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             23248
_reflns_number_gt                22147
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.985
_reflns_Friedel_fraction_max     0.983
_reflns_Friedel_fraction_full    0.996
_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       'APEX3 v2018.7-2'
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_reduction        'SAINT V8.38A'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'FinalCif by Daniel Kratzert, Freiburg 2019'
_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)+(0.0310P)²+0.9218P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         23248
_refine_ls_number_parameters     1171
_refine_ls_number_restraints     872
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0230
_refine_ls_wR_factor_ref         0.0568
_refine_ls_wR_factor_gt          0.0560
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.800
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   -0.0146(10)
_refine_ls_abs_structure_details 
;
 Flack x determined using 10462 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Au1 Au 1.25337(2) 0.73096(2) 0.29046(2) 0.02554(5) Uani 1 1 d . . . . .
B1 B 0.8047(3) 0.2049(3) 0.7324(3) 0.0156(7) Uani 1 1 d . . . . .
Pt1 Pt 1.16734(2) 0.61900(2) 0.19746(2) 0.02147(4) Uani 1 1 d . . . . .
P1 P 1.33821(10) 0.83283(10) 0.34926(8) 0.0235(2) Uani 1 1 d . . . . .
C1 C 0.8303(4) 0.0848(4) 1.1255(3) 0.0256(8) Uani 1 1 d . . . . .
C2 C 0.5988(4) 0.5065(4) 0.9787(3) 0.0366(10) Uani 1 1 d D U . . .
F1B F 0.5765(13) 0.5252(18) 1.0726(7) 0.054(4) Uani 0.604(4) 1 d D U P A 1
F2B F 0.4879(6) 0.5419(7) 0.9314(7) 0.055(2) Uani 0.604(4) 1 d D U P A 1
F3B F 0.6358(8) 0.5806(7) 0.9294(7) 0.048(2) Uani 0.604(4) 1 d D U P A 1
F4B F 0.550(3) 0.525(5) 1.0682(17) 0.037(5) Uani 0.214(4) 1 d D U P A 2
F5B F 0.5169(18) 0.5676(18) 0.9066(13) 0.048(4) Uani 0.214(4) 1 d D U P A 2
F6B F 0.6692(18) 0.5621(18) 0.972(2) 0.056(5) Uani 0.214(4) 1 d D U P A 2
F7B F 0.5006(16) 0.5239(16) 1.018(2) 0.057(5) Uani 0.181(4) 1 d D U P A 3
F8B F 0.592(2) 0.590(2) 0.9073(18) 0.047(6) Uani 0.181(4) 1 d D U P A 3
F9B F 0.654(2) 0.5288(16) 1.0611(16) 0.060(5) Uani 0.181(4) 1 d D U P A 3
C3 C 0.3733(4) 0.4365(5) 0.6138(4) 0.0386(12) Uani 1 1 d . . . . .
C4 C 0.6774(4) 0.4185(4) 0.3624(3) 0.0259(8) Uani 1 1 d D U . . .
F1A F 0.7874(11) 0.396(2) 0.3495(16) 0.044(5) Uani 0.31(3) 1 d D U P B 1
F2A F 0.623(2) 0.5321(13) 0.3220(19) 0.047(5) Uani 0.31(3) 1 d D U P B 1
F3A F 0.651(3) 0.362(3) 0.2938(12) 0.049(5) Uani 0.31(3) 1 d D U P B 1
F4A F 0.5942(7) 0.5103(9) 0.3080(7) 0.044(2) Uani 0.69(3) 1 d D U P B 2
F5A F 0.7086(14) 0.3270(7) 0.3109(7) 0.055(3) Uani 0.69(3) 1 d D U P B 2
F6A F 0.7710(9) 0.4390(13) 0.3652(8) 0.050(2) Uani 0.69(3) 1 d D U P B 2
C5 C 1.0161(4) 0.4720(4) 0.6586(4) 0.0291(9) Uani 1 1 d . . . . .
C6 C 1.2516(4) 0.0423(4) 0.7608(4) 0.0338(10) Uani 1 1 d . . . . .
C7 C 1.0003(4) -0.1584(4) 0.5482(3) 0.0274(8) Uani 1 1 d D U . . .
F1C F 1.0358(5) -0.2729(3) 0.5600(4) 0.0553(14) Uani 0.882(7) 1 d D U P C 1
F2C F 1.0962(3) -0.1421(4) 0.5502(4) 0.0581(15) Uani 0.882(7) 1 d D U P C 1
F3C F 0.9585(4) -0.1154(4) 0.4520(3) 0.0566(14) Uani 0.882(7) 1 d D U P C 1
F4C F 1.016(3) -0.092(2) 0.4774(19) 0.044(6) Uani 0.118(7) 1 d D U P C 2
F5C F 0.962(3) -0.227(3) 0.510(3) 0.053(7) Uani 0.118(7) 1 d D U P C 2
F6C F 1.1023(17) -0.230(3) 0.5939(19) 0.052(7) Uani 0.118(7) 1 d D U P C 2
C8 C 0.7189(4) -0.1556(4) 0.8192(3) 0.0277(8) Uani 1 1 d . . . . .
F1 F 0.8068(4) 0.1236(3) 1.2159(2) 0.0606(11) Uani 1 1 d . . . . .
F2 F 0.9454(3) 0.0232(3) 1.1261(2) 0.0430(7) Uani 1 1 d . . . . .
F3 F 0.7891(3) 0.0061(3) 1.1238(3) 0.0555(10) Uani 1 1 d . . . . .
F7 F 0.3426(3) 0.3500(4) 0.6154(4) 0.0679(12) Uani 1 1 d . . . . .
F8 F 0.3511(3) 0.4735(4) 0.7063(3) 0.0588(11) Uani 1 1 d . . . . .
F9 F 0.2993(2) 0.5255(3) 0.5468(3) 0.0445(8) Uani 1 1 d . . . . .
F13 F 0.9079(2) 0.5571(2) 0.6467(3) 0.0415(7) Uani 1 1 d . . . . .
F14 F 1.0680(3) 0.4794(3) 0.5696(3) 0.0557(10) Uani 1 1 d . . . . .
F15 F 1.0725(3) 0.4991(3) 0.7257(3) 0.0607(11) Uani 1 1 d . . . . .
F16 F 1.2585(3) -0.0506(3) 0.7204(3) 0.0556(10) Uani 1 1 d . . . . .
F17 F 1.2703(3) 0.0086(3) 0.8624(3) 0.0617(10) Uani 1 1 d . . . . .
F18 F 1.3403(3) 0.0618(3) 0.7274(4) 0.0603(11) Uani 1 1 d . . . . .
F22 F 0.6085(3) -0.0825(3) 0.8313(3) 0.0436(7) Uani 1 1 d . . . . .
F23 F 0.7662(3) -0.1966(3) 0.9154(2) 0.0493(8) Uani 1 1 d . . . . .
F24 F 0.7200(4) -0.2469(3) 0.7812(3) 0.0621(12) Uani 1 1 d . . . . .
C1_1 C 1.0436(4) 0.7767(4) -0.0179(3) 0.0314(9) Uani 1 1 d . . . . .
H1_1 H 0.958895 0.819959 -0.005491 0.038 Uiso 1 1 calc R U . . .
C2_1 C 1.1264(4) 0.7645(4) 0.0672(3) 0.0256(8) Uani 1 1 d . . . . .
H2_1 H 1.128500 0.837976 0.082775 0.031 Uiso 1 1 calc R U . . .
C3_1 C 1.2337(4) 0.6706(4) 0.0507(3) 0.0259(8) Uani 1 1 d . . . . .
H3_1 H 1.305441 0.683109 0.054717 0.031 Uiso 1 1 calc R U . . .
C4_1 C 1.2143(5) 0.6237(4) -0.0437(4) 0.0343(10) Uani 1 1 d . . . . .
H4_1 H 1.270493 0.541718 -0.051847 0.041 Uiso 1 1 calc R U . . .
C5_1 C 1.2040(5) 0.7217(5) -0.1338(4) 0.0373(11) Uani 1 1 d . . . . .
H5A_1 H 1.269693 0.742697 -0.130527 0.045 Uiso 1 1 calc R U . . .
H5B_1 H 1.201441 0.696792 -0.201539 0.045 Uiso 1 1 calc R U . . .
C6_1 C 1.0875(5) 0.8252(5) -0.1146(4) 0.0385(11) Uani 1 1 d . . . . .
H6A_1 H 1.099725 0.893868 -0.102479 0.046 Uiso 1 1 calc R U . . .
H6B_1 H 1.031639 0.848465 -0.173990 0.046 Uiso 1 1 calc R U . . .
C7_1 C 1.0860(5) 0.6482(5) -0.0366(4) 0.0383(11) Uani 1 1 d . . . . .
H7A_1 H 1.072201 0.598618 0.021976 0.046 Uiso 1 1 calc R U . . .
H7B_1 H 1.052681 0.641340 -0.101425 0.046 Uiso 1 1 calc R U . . .
C1_2 C 1.3739(5) 0.3740(4) 0.1555(5) 0.0425(12) Uani 1 1 d . . . . .
H1_2 H 1.399075 0.387142 0.084047 0.051 Uiso 1 1 calc R U . . .
C2_2 C 1.3451(4) 0.4734(4) 0.2188(4) 0.0301(9) Uani 1 1 d . . . . .
H2_2 H 1.409867 0.492392 0.237177 0.036 Uiso 1 1 calc R U . . .
C3_2 C 1.2765(4) 0.4568(4) 0.2986(4) 0.0336(10) Uani 1 1 d . . . . .
H3_2 H 1.296328 0.463337 0.370042 0.040 Uiso 1 1 calc R U . . .
C4_2 C 1.2627(6) 0.3479(4) 0.2820(5) 0.0487(14) Uani 1 1 d . . . . .
H4_2 H 1.194985 0.338873 0.314382 0.058 Uiso 1 1 calc R U . . .
C5_2 C 1.3847(7) 0.2463(5) 0.3134(7) 0.070(2) Uani 1 1 d . . . . .
H5A_2 H 1.383791 0.168964 0.315678 0.084 Uiso 1 1 calc R U . . .
H5B_2 H 1.412483 0.251797 0.381439 0.084 Uiso 1 1 calc R U . . .
C6_2 C 1.4614(6) 0.2657(5) 0.2264(6) 0.0626(19) Uani 1 1 d . . . . .
H6A_2 H 1.523793 0.281388 0.254220 0.075 Uiso 1 1 calc R U . . .
H6B_2 H 1.496906 0.196757 0.189346 0.075 Uiso 1 1 calc R U . . .
C7_2 C 1.2663(7) 0.3545(6) 0.1636(7) 0.0552(19) Uani 1 1 d . . . . .
H7A_2 H 1.276954 0.280501 0.139726 0.066 Uiso 1 1 calc R U . . .
H7B_2 H 1.197472 0.421283 0.127597 0.066 Uiso 1 1 calc R U . . .
C1_3 C 0.9793(6) 0.5640(6) 0.3315(5) 0.0419(14) Uani 1 1 d . . . . .
H1_3 H 1.021910 0.482672 0.369158 0.050 Uiso 1 1 calc R U . . .
C2_3 C 1.0450(4) 0.6387(4) 0.3232(3) 0.0303(9) Uani 1 1 d . . . . .
H2_3 H 1.063976 0.660138 0.388514 0.036 Uiso 1 1 calc R U . . .
C3_3 C 0.9893(4) 0.7305(4) 0.2418(4) 0.0323(9) Uani 1 1 d . . . . .
H3_3 H 0.971122 0.812163 0.253615 0.039 Uiso 1 1 calc R U . . .
C4_3 C 0.8916(5) 0.7084(6) 0.2000(4) 0.0470(14) Uani 1 1 d . . . . .
H4_3 H 0.860946 0.746684 0.128369 0.056 Uiso 1 1 calc R U . . .
C5_3 C 0.8017(5) 0.7377(8) 0.2859(5) 0.0605(18) Uani 1 1 d . . . . .
H5A_3 H 0.783456 0.815571 0.305586 0.073 Uiso 1 1 calc R U . . .
H5B_3 H 0.728709 0.736775 0.263068 0.073 Uiso 1 1 calc R U . . .
C6_3 C 0.8627(6) 0.6402(6) 0.3752(5) 0.0544(16) Uani 1 1 d . . . . .
H6A_3 H 0.817545 0.594763 0.394933 0.065 Uiso 1 1 calc R U . . .
H6B_3 H 0.874594 0.672418 0.436053 0.065 Uiso 1 1 calc R U . . .
C7_3 C 0.9433(6) 0.5722(7) 0.2200(5) 0.0514(16) Uani 1 1 d . . . . .
H7A_3 H 0.884300 0.542695 0.212690 0.062 Uiso 1 1 calc R U . . .
H7B_3 H 1.010216 0.533771 0.177036 0.062 Uiso 1 1 calc R U . . .
C1_4 C 1.4334(3) 0.7607(4) 0.4633(3) 0.0233(7) Uani 1 1 d . . . . .
C2_4 C 1.5527(5) 0.7246(6) 0.4624(4) 0.0482(14) Uani 1 1 d . . . . .
H2_4 H 1.588029 0.736271 0.400183 0.058 Uiso 1 1 calc R U . . .
C3_4 C 1.6216(5) 0.6701(7) 0.5547(5) 0.0534(16) Uani 1 1 d . . . . .
H3_4 H 1.703464 0.643812 0.553807 0.064 Uiso 1 1 calc R U . . .
C4_4 C 1.5726(5) 0.6554(4) 0.6423(4) 0.0370(10) Uani 1 1 d . . . . .
H4_4 H 1.619146 0.623080 0.704411 0.044 Uiso 1 1 calc R U . . .
C5_4 C 1.4544(4) 0.6868(5) 0.6444(4) 0.0386(11) Uani 1 1 d . . . . .
H5_4 H 1.420467 0.672871 0.706841 0.046 Uiso 1 1 calc R U . . .
C6_4 C 1.3860(4) 0.7387(5) 0.5547(4) 0.0399(12) Uani 1 1 d . . . . .
H6_4 H 1.305035 0.759518 0.555942 0.048 Uiso 1 1 calc R U . . .
C1_5 C 1.4268(4) 0.8629(4) 0.2493(3) 0.0305(9) Uani 1 1 d . . . . .
C2_5 C 1.4579(7) 0.8005(7) 0.1691(6) 0.0500(18) Uani 1 1 d . . . . .
H2_5 H 1.432853 0.741195 0.164997 0.060 Uiso 1 1 calc R U . . .
C3_5 C 1.5265(7) 0.8223(7) 0.0921(5) 0.0557(17) Uani 1 1 d . . . . .
H3_5 H 1.546592 0.778492 0.035956 0.067 Uiso 1 1 calc R U . . .
C4_5 C 1.5642(6) 0.9048(5) 0.0970(5) 0.0531(16) Uani 1 1 d . . . . .
H4_5 H 1.602126 0.926507 0.040721 0.064 Uiso 1 1 calc R U . . .
C5_5 C 1.5467(7) 0.9577(6) 0.1855(6) 0.0593(18) Uani 1 1 d . . . . .
H5_5 H 1.581948 1.007990 0.194034 0.071 Uiso 1 1 calc R U . . .
C6_5 C 1.4781(6) 0.9371(6) 0.2612(5) 0.0491(15) Uani 1 1 d . . . . .
H6_5 H 1.465882 0.973769 0.321438 0.059 Uiso 1 1 calc R U . . .
C1_6 C 1.2344(4) 0.9741(4) 0.3813(3) 0.0241(8) Uani 1 1 d . . . . .
C2_6 C 1.2651(4) 1.0330(4) 0.4482(3) 0.0291(9) Uani 1 1 d . . . . .
H2_6 H 1.340653 0.997323 0.480546 0.035 Uiso 1 1 calc R U . . .
C3_6 C 1.1866(5) 1.1428(4) 0.4680(4) 0.0341(10) Uani 1 1 d . . . . .
H3_6 H 1.209116 1.183249 0.512016 0.041 Uiso 1 1 calc R U . . .
C4_6 C 1.0741(5) 1.1942(4) 0.4233(4) 0.0377(11) Uani 1 1 d . . . . .
H4_6 H 1.019053 1.268297 0.438853 0.045 Uiso 1 1 calc R U . . .
C5_6 C 1.0434(5) 1.1373(5) 0.3568(5) 0.0444(13) Uani 1 1 d . . . . .
H5_6 H 0.967379 1.172839 0.325286 0.053 Uiso 1 1 calc R U . . .
C6_6 C 1.1238(5) 1.0266(5) 0.3350(5) 0.0377(12) Uani 1 1 d . . . . .
H6_6 H 1.102240 0.987816 0.288562 0.045 Uiso 1 1 calc R U . . .
C1_7 C 0.7678(3) 0.2357(3) 0.8487(3) 0.0163(6) Uani 1 1 d . . . . .
C2_7 C 0.8105(3) 0.1525(3) 0.9368(3) 0.0172(6) Uani 1 1 d . . . . .
H2_7 H 0.859523 0.073407 0.928804 0.021 Uiso 1 1 calc R U . . .
C3_7 C 0.7842(3) 0.1808(3) 1.0359(3) 0.0184(7) Uani 1 1 d . . . . .
C4_7 C 0.7146(4) 0.2969(4) 1.0520(3) 0.0228(9) Uani 1 1 d . . . . .
H4_7 H 0.696262 0.316716 1.119462 0.027 Uiso 1 1 calc R U . . .
C5_7 C 0.6739(3) 0.3811(3) 0.9663(3) 0.0219(7) Uani 1 1 d D U . . .
C6_7 C 0.6984(3) 0.3521(3) 0.8673(3) 0.0200(7) Uani 1 1 d . . . . .
H6_7 H 0.667489 0.412542 0.810185 0.024 Uiso 1 1 calc R U . . .
C1_8 C 0.7033(3) 0.2913(3) 0.6451(3) 0.0171(6) Uani 1 1 d . . . . .
C2_8 C 0.5845(3) 0.3301(4) 0.6638(3) 0.0208(7) Uani 1 1 d . . . . .
H2_8 H 0.562312 0.308658 0.730020 0.025 Uiso 1 1 calc R U . . .
C3_8 C 0.4981(3) 0.3991(4) 0.5881(3) 0.0233(7) Uani 1 1 d . . . . .
C4_8 C 0.5265(3) 0.4305(3) 0.4896(3) 0.0219(7) Uani 1 1 d . . . . .
H4_8 H 0.467838 0.477817 0.437894 0.026 Uiso 1 1 calc R U . . .
C5_8 C 0.6435(3) 0.3904(3) 0.4692(3) 0.0193(7) Uani 1 1 d D U . . .
C6_8 C 0.7297(3) 0.3226(3) 0.5448(3) 0.0176(6) Uani 1 1 d . . . . .
H6_8 H 0.808930 0.296630 0.527926 0.021 Uiso 1 1 calc R U . . .
C1_9 C 0.9246(3) 0.2231(3) 0.7182(3) 0.0159(6) Uani 1 1 d . . . . .
C2_9 C 0.9212(3) 0.3350(3) 0.6920(3) 0.0178(6) Uani 1 1 d . . . . .
H2_9 H 0.848040 0.401000 0.676738 0.021 Uiso 1 1 calc R U . . .
C3_9 C 1.0216(3) 0.3522(3) 0.6877(3) 0.0194(7) Uani 1 1 d . . . . .
C4_9 C 1.1306(3) 0.2583(3) 0.7086(3) 0.0205(7) Uani 1 1 d . . . . .
H4_9 H 1.199339 0.269677 0.704456 0.025 Uiso 1 1 calc R U . . .
C5_9 C 1.1358(3) 0.1465(3) 0.7359(3) 0.0210(7) Uani 1 1 d . . . . .
C6_9 C 1.0354(3) 0.1300(3) 0.7409(3) 0.0190(7) Uani 1 1 d . . . . .
H6_9 H 1.041954 0.052952 0.760287 0.023 Uiso 1 1 calc R U . . .
C1_10 C 0.8267(3) 0.0723(3) 0.7180(3) 0.0163(6) Uani 1 1 d . . . . .
C2_10 C 0.9002(3) 0.0124(3) 0.6430(3) 0.0177(6) Uani 1 1 d . . . . .
H2_10 H 0.940372 0.049309 0.602145 0.021 Uiso 1 1 calc R U . . .
C3_10 C 0.9166(3) -0.0983(3) 0.6264(3) 0.0197(7) Uani 1 1 d D U . . .
C4_10 C 0.8581(4) -0.1554(3) 0.6827(3) 0.0218(7) Uani 1 1 d . . . . .
H4_10 H 0.869363 -0.231477 0.671761 0.026 Uiso 1 1 calc R U . . .
C5_10 C 0.7825(3) -0.0968(3) 0.7554(3) 0.0210(7) Uani 1 1 d . . . . .
C6_10 C 0.7674(3) 0.0137(3) 0.7731(3) 0.0193(7) Uani 1 1 d . . . . .
H6_10 H 0.715529 0.050621 0.823871 0.023 Uiso 1 1 calc R U . . .
Cl1_11 Cl 0.52709(11) 0.19004(13) 0.94947(11) 0.0430(3) Uani 1 1 d D . . . .
Cl2_11 Cl 0.27784(12) 0.30890(14) 0.90264(12) 0.0486(3) Uani 1 1 d D . . . .
C1_11 C 0.4004(5) 0.1743(6) 0.9328(10) 0.092(4) Uani 1 1 d D . . . .
H1A_11 H 0.387370 0.131433 0.996841 0.110 Uiso 1 1 calc R U . . .
H1B_11 H 0.410303 0.126528 0.876846 0.110 Uiso 1 1 calc R U . . .
Cl1_12 Cl 1.5137(2) 0.0716(3) 0.5871(2) 0.0575(9) Uani 0.545(4) 1 d D . P D 1
Cl2_12 Cl 1.6666(3) 0.0033(4) 0.4179(3) 0.0671(12) Uani 0.545(4) 1 d D . P D 1
C1_12 C 1.623(2) 0.093(2) 0.5154(16) 0.038(3) Uani 0.545(4) 1 d D U P D 1
H1A_12 H 1.592539 0.176035 0.484278 0.046 Uiso 0.545(4) 1 calc R U P D 1
H1B_12 H 1.690332 0.074199 0.561761 0.046 Uiso 0.545(4) 1 calc R U P D 1
Cl1_13 Cl 1.5830(4) -0.0495(4) 0.5411(3) 0.0707(14) Uani 0.455(4) 1 d D . P D 2
Cl2_13 Cl 1.6840(4) 0.0836(4) 0.4153(3) 0.0607(13) Uani 0.455(4) 1 d D . P D 2
C1_13 C 1.606(3) 0.0772(19) 0.5265(16) 0.043(4) Uani 0.455(4) 1 d D U P D 2
H1A_13 H 1.649645 0.077043 0.587857 0.052 Uiso 0.455(4) 1 calc R U P D 2
H1B_13 H 1.529792 0.147427 0.520895 0.052 Uiso 0.455(4) 1 calc R U P D 2
Cl1_14 Cl 0.9328(5) 1.4635(4) -0.0502(3) 0.0809(13) Uani 0.556(4) 1 d D . P E 1
Cl2_14 Cl 1.0365(6) 1.2540(7) 0.0993(4) 0.093(2) Uani 0.556(4) 1 d D U P E 1
C1_14 C 0.9952(14) 1.3100(9) -0.0306(7) 0.051(3) Uani 0.556(4) 1 d D U P E 1
H1A_14 H 1.064255 1.279191 -0.072984 0.062 Uiso 0.556(4) 1 calc R U P E 1
H1B_14 H 0.938460 1.283264 -0.053123 0.062 Uiso 0.556(4) 1 calc R U P E 1
Cl1_15 Cl 0.9918(9) 1.3252(13) 0.0742(10) 0.082(3) Uani 0.270(4) 1 d D U P F 2
Cl2_15 Cl 1.1839(8) 1.0934(9) 0.0741(6) 0.067(2) Uani 0.270(4) 1 d D U P F 2
C1_15 C 1.0651(14) 1.2091(14) 0.0016(14) 0.058(5) Uani 0.270(4) 1 d D U P F 2
H1A_15 H 1.010269 1.179384 -0.019453 0.069 Uiso 0.270(4) 1 calc R U P F 2
H1B_15 H 1.093497 1.238608 -0.061494 0.069 Uiso 0.270(4) 1 calc R U P F 2
Cl1_16 Cl 0.9660(14) 1.3984(17) 0.026(2) 0.102(6) Uani 0.174(4) 1 d D U P G 3
Cl2_16 Cl 1.1213(17) 1.1494(16) 0.0479(13) 0.087(4) Uani 0.174(4) 1 d D U P G 3
C1_16 C 1.021(5) 1.272(2) -0.035(3) 0.060(7) Uani 0.174(4) 1 d D U P G 3
H1A_16 H 1.059622 1.285203 -0.097827 0.072 Uiso 0.174(4) 1 calc R U P G 3
H1B_16 H 0.955826 1.255497 -0.054852 0.072 Uiso 0.174(4) 1 calc R U P G 3


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
Au1 P1 2.2370(11) . ?
Au1 Pt1 2.57868(18) . ?
B1 C1_10 1.631(5) . ?
B1 C1_7 1.637(5) . ?
B1 C1_8 1.639(5) . ?
B1 C1_9 1.649(5) . ?
Pt1 C3_2 2.195(5) . ?
Pt1 C2_3 2.211(4) . ?
Pt1 C3_3 2.213(5) . ?
Pt1 C2_2 2.217(4) . ?
Pt1 C3_1 2.220(4) . ?
Pt1 C2_1 2.231(4) . ?
P1 C1_4 1.815(4) . ?
P1 C1_6 1.816(4) . ?
P1 C1_5 1.822(5) . ?
C1 F3 1.326(6) . ?
C1 F1 1.326(5) . ?
C1 F2 1.332(5) . ?
C1 C3_7 1.497(5) . ?
C2 F7B 1.286(15) . ?
C2 F1B 1.289(9) . ?
C2 F8B 1.291(16) . ?
C2 F5B 1.315(15) . ?
C2 F4B 1.318(18) . ?
C2 F3B 1.321(8) . ?
C2 F6B 1.363(16) . ?
C2 F2B 1.415(8) . ?
C2 F9B 1.430(15) . ?
C2 C5_7 1.499(6) . ?
C3 F7 1.321(7) . ?
C3 F9 1.337(6) . ?
C3 F8 1.343(6) . ?
C3 C3_8 1.498(6) . ?
C4 F4A 1.317(7) . ?
C4 F1A 1.318(14) . ?
C4 F6A 1.334(8) . ?
C4 F5A 1.336(7) . ?
C4 F2A 1.342(13) . ?
C4 F3A 1.357(12) . ?
C4 C5_8 1.501(5) . ?
C5 F15 1.320(6) . ?
C5 F13 1.332(5) . ?
C5 F14 1.343(6) . ?
C5 C3_9 1.498(5) . ?
C6 F18 1.317(6) . ?
C6 F16 1.333(6) . ?
C6 F17 1.336(7) . ?
C6 C5_9 1.504(5) . ?
C7 F4C 1.243(16) . ?
C7 F1C 1.317(5) . ?
C7 F6C 1.320(17) . ?
C7 F3C 1.329(6) . ?
C7 F5C 1.329(17) . ?
C7 F2C 1.330(6) . ?
C7 C3_10 1.498(5) . ?
C8 F24 1.326(5) . ?
C8 F22 1.332(5) . ?
C8 F23 1.345(6) . ?
C8 C5_10 1.501(5) . ?
C1_1 C2_1 1.500(6) . ?
C1_1 C6_1 1.538(7) . ?
C1_1 C7_1 1.544(7) . ?
C1_1 H1_1 1.0000 . ?
C2_1 C3_1 1.413(6) . ?
C2_1 H2_1 1.0000 . ?
C3_1 C4_1 1.517(7) . ?
C3_1 H3_1 1.0000 . ?
C4_1 C7_1 1.532(8) . ?
C4_1 C5_1 1.562(7) . ?
C4_1 H4_1 1.0000 . ?
C5_1 C6_1 1.547(7) . ?
C5_1 H5A_1 0.9900 . ?
C5_1 H5B_1 0.9900 . ?
C6_1 H6A_1 0.9900 . ?
C6_1 H6B_1 0.9900 . ?
C7_1 H7A_1 0.9900 . ?
C7_1 H7B_1 0.9900 . ?
C1_2 C7_2 1.499(10) . ?
C1_2 C2_2 1.520(7) . ?
C1_2 C6_2 1.542(8) . ?
C1_2 H1_2 1.0000 . ?
C2_2 C3_2 1.404(7) . ?
C2_2 H2_2 1.0000 . ?
C3_2 C4_2 1.521(8) . ?
C3_2 H3_2 1.0000 . ?
C4_2 C7_2 1.545(11) . ?
C4_2 C5_2 1.552(9) . ?
C4_2 H4_2 1.0000 . ?
C5_2 C6_2 1.552(11) . ?
C5_2 H5A_2 0.9900 . ?
C5_2 H5B_2 0.9900 . ?
C6_2 H6A_2 0.9900 . ?
C6_2 H6B_2 0.9900 . ?
C7_2 H7A_2 0.9900 . ?
C7_2 H7B_2 0.9900 . ?
C1_3 C2_3 1.515(8) . ?
C1_3 C7_3 1.519(9) . ?
C1_3 C6_3 1.533(9) . ?
C1_3 H1_3 1.0000 . ?
C2_3 C3_3 1.409(7) . ?
C2_3 H2_3 1.0000 . ?
C3_3 C4_3 1.522(8) . ?
C3_3 H3_3 1.0000 . ?
C4_3 C5_3 1.554(8) . ?
C4_3 C7_3 1.555(10) . ?
C4_3 H4_3 1.0000 . ?
C5_3 C6_3 1.526(10) . ?
C5_3 H5A_3 0.9900 . ?
C5_3 H5B_3 0.9900 . ?
C6_3 H6A_3 0.9900 . ?
C6_3 H6B_3 0.9900 . ?
C7_3 H7A_3 0.9900 . ?
C7_3 H7B_3 0.9900 . ?
C1_4 C6_4 1.380(6) . ?
C1_4 C2_4 1.388(7) . ?
C2_4 C3_4 1.416(8) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.327(8) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.385(7) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.384(7) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C1_5 C2_5 1.357(8) . ?
C1_5 C6_5 1.392(7) . ?
C2_5 C3_5 1.401(9) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.344(9) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.389(9) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.384(8) . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
C1_6 C6_6 1.385(7) . ?
C1_6 C2_6 1.395(6) . ?
C2_6 C3_6 1.381(6) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.397(8) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.372(8) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.405(8) . ?
C5_6 H5_6 0.9500 . ?
C6_6 H6_6 0.9500 . ?
C1_7 C2_7 1.396(5) . ?
C1_7 C6_7 1.416(5) . ?
C2_7 C3_7 1.392(5) . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.404(6) . ?
C4_7 C5_7 1.379(6) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.391(5) . ?
C6_7 H6_7 0.9500 . ?
C1_8 C6_8 1.399(5) . ?
C1_8 C2_8 1.405(5) . ?
C2_8 C3_8 1.394(5) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.388(6) . ?
C4_8 C5_8 1.386(5) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.389(5) . ?
C6_8 H6_8 0.9500 . ?
C1_9 C6_9 1.403(5) . ?
C1_9 C2_9 1.407(5) . ?
C2_9 C3_9 1.390(5) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.389(5) . ?
C4_9 C5_9 1.397(5) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.386(5) . ?
C6_9 H6_9 0.9500 . ?
C1_10 C6_10 1.406(5) . ?
C1_10 C2_10 1.407(5) . ?
C2_10 C3_10 1.386(5) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.392(5) . ?
C4_10 C5_10 1.390(5) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.393(5) . ?
C6_10 H6_10 0.9500 . ?
Cl1_11 C1_11 1.737(6) . ?
Cl2_11 C1_11 1.752(7) . ?
C1_11 H1A_11 0.9900 . ?
C1_11 H1B_11 0.9900 . ?
Cl1_12 C1_12 1.758(10) . ?
Cl2_12 C1_12 1.753(10) . ?
C1_12 H1A_12 0.9900 . ?
C1_12 H1B_12 0.9900 . ?
Cl1_13 C1_13 1.751(11) . ?
Cl2_13 C1_13 1.764(10) . ?
C1_13 H1A_13 0.9900 . ?
C1_13 H1B_13 0.9900 . ?
Cl1_14 C1_14 1.751(10) . ?
Cl2_14 C1_14 1.752(9) . ?
C1_14 H1A_14 0.9900 . ?
C1_14 H1B_14 0.9900 . ?
Cl1_15 C1_15 1.769(11) . ?
Cl2_15 C1_15 1.767(12) . ?
C1_15 H1A_15 0.9900 . ?
C1_15 H1B_15 0.9900 . ?
Cl1_16 C1_16 1.759(12) . ?
Cl2_16 C1_16 1.765(12) . ?
C1_16 H1A_16 0.9900 . ?
C1_16 H1B_16 0.9900 . ?

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
P1 Au1 Pt1 171.75(3) . . ?
C1_10 B1 C1_7 113.1(3) . . ?
C1_10 B1 C1_8 105.0(3) . . ?
C1_7 B1 C1_8 112.2(3) . . ?
C1_10 B1 C1_9 111.8(3) . . ?
C1_7 B1 C1_9 103.0(3) . . ?
C1_8 B1 C1_9 111.9(3) . . ?
C3_2 Pt1 C2_3 82.56(19) . . ?
C3_2 Pt1 C3_3 119.56(18) . . ?
C2_3 Pt1 C3_3 37.15(18) . . ?
C3_2 Pt1 C2_2 37.11(18) . . ?
C2_3 Pt1 C2_2 119.13(18) . . ?
C3_3 Pt1 C2_2 156.25(18) . . ?
C3_2 Pt1 C3_1 120.46(17) . . ?
C2_3 Pt1 C3_1 156.83(17) . . ?
C3_3 Pt1 C3_1 119.97(16) . . ?
C2_2 Pt1 C3_1 83.55(17) . . ?
C3_2 Pt1 C2_1 156.74(17) . . ?
C2_3 Pt1 C2_1 119.81(17) . . ?
C3_3 Pt1 C2_1 83.29(16) . . ?
C2_2 Pt1 C2_1 119.70(17) . . ?
C3_1 Pt1 C2_1 37.02(15) . . ?
C3_2 Pt1 Au1 89.60(14) . . ?
C2_3 Pt1 Au1 88.31(12) . . ?
C3_3 Pt1 Au1 91.75(14) . . ?
C2_2 Pt1 Au1 84.93(12) . . ?
C3_1 Pt1 Au1 89.24(12) . . ?
C2_1 Pt1 Au1 85.15(12) . . ?
C1_4 P1 C1_6 105.43(19) . . ?
C1_4 P1 C1_5 106.6(2) . . ?
C1_6 P1 C1_5 106.6(2) . . ?
C1_4 P1 Au1 115.54(14) . . ?
C1_6 P1 Au1 113.09(14) . . ?
C1_5 P1 Au1 109.06(15) . . ?
F3 C1 F1 107.5(4) . . ?
F3 C1 F2 104.5(4) . . ?
F1 C1 F2 106.3(4) . . ?
F3 C1 C3_7 112.1(3) . . ?
F1 C1 C3_7 113.2(4) . . ?
F2 C1 C3_7 112.6(3) . . ?
F7B C2 F8B 113.5(15) . . ?
F5B C2 F4B 107.2(19) . . ?
F1B C2 F3B 111.2(11) . . ?
F5B C2 F6B 104.2(14) . . ?
F4B C2 F6B 105(2) . . ?
F1B C2 F2B 103.7(8) . . ?
F3B C2 F2B 103.5(6) . . ?
F7B C2 F9B 100.1(15) . . ?
F8B C2 F9B 100.8(17) . . ?
F7B C2 C5_7 113.9(9) . . ?
F1B C2 C5_7 114.8(10) . . ?
F8B C2 C5_7 119.9(13) . . ?
F5B C2 C5_7 116.3(10) . . ?
F4B C2 C5_7 116(3) . . ?
F3B C2 C5_7 113.4(5) . . ?
F6B C2 C5_7 107.0(10) . . ?
F2B C2 C5_7 109.0(5) . . ?
F9B C2 C5_7 104.9(8) . . ?
F7 C3 F9 106.5(4) . . ?
F7 C3 F8 107.2(5) . . ?
F9 C3 F8 105.5(4) . . ?
F7 C3 C3_8 111.8(4) . . ?
F9 C3 C3_8 113.2(4) . . ?
F8 C3 C3_8 112.2(4) . . ?
F4A C4 F6A 107.9(6) . . ?
F4A C4 F5A 108.5(6) . . ?
F6A C4 F5A 105.1(6) . . ?
F1A C4 F2A 101.9(12) . . ?
F1A C4 F3A 105.7(10) . . ?
F2A C4 F3A 103.8(11) . . ?
F4A C4 C5_8 113.2(5) . . ?
F1A C4 C5_8 117.4(9) . . ?
F6A C4 C5_8 110.8(5) . . ?
F5A C4 C5_8 110.9(5) . . ?
F2A C4 C5_8 114.5(10) . . ?
F3A C4 C5_8 112.1(7) . . ?
F15 C5 F13 107.5(4) . . ?
F15 C5 F14 104.2(4) . . ?
F13 C5 F14 106.9(4) . . ?
F15 C5 C3_9 113.0(4) . . ?
F13 C5 C3_9 113.4(3) . . ?
F14 C5 C3_9 111.2(4) . . ?
F18 C6 F16 106.5(4) . . ?
F18 C6 F17 106.7(4) . . ?
F16 C6 F17 106.3(4) . . ?
F18 C6 C5_9 113.5(4) . . ?
F16 C6 C5_9 112.1(4) . . ?
F17 C6 C5_9 111.2(4) . . ?
F4C C7 F6C 108.4(18) . . ?
F1C C7 F3C 108.1(4) . . ?
F4C C7 F5C 110.5(19) . . ?
F6C C7 F5C 105(2) . . ?
F1C C7 F2C 105.9(4) . . ?
F3C C7 F2C 103.0(4) . . ?
F4C C7 C3_10 115.1(12) . . ?
F1C C7 C3_10 114.0(4) . . ?
F6C C7 C3_10 110.0(12) . . ?
F3C C7 C3_10 112.9(4) . . ?
F5C C7 C3_10 107.3(12) . . ?
F2C C7 C3_10 112.2(4) . . ?
F24 C8 F22 107.9(4) . . ?
F24 C8 F23 105.9(4) . . ?
F22 C8 F23 104.9(4) . . ?
F24 C8 C5_10 113.1(3) . . ?
F22 C8 C5_10 112.7(4) . . ?
F23 C8 C5_10 111.7(4) . . ?
C2_1 C1_1 C6_1 104.2(4) . . ?
C2_1 C1_1 C7_1 101.8(4) . . ?
C6_1 C1_1 C7_1 100.0(4) . . ?
C2_1 C1_1 H1_1 116.2 . . ?
C6_1 C1_1 H1_1 116.2 . . ?
C7_1 C1_1 H1_1 116.2 . . ?
C3_1 C2_1 C1_1 106.4(4) . . ?
C3_1 C2_1 Pt1 71.1(2) . . ?
C1_1 C2_1 Pt1 118.4(3) . . ?
C3_1 C2_1 H2_1 117.2 . . ?
C1_1 C2_1 H2_1 117.2 . . ?
Pt1 C2_1 H2_1 117.2 . . ?
C2_1 C3_1 C4_1 106.4(4) . . ?
C2_1 C3_1 Pt1 71.9(2) . . ?
C4_1 C3_1 Pt1 116.9(3) . . ?
C2_1 C3_1 H3_1 117.6 . . ?
C4_1 C3_1 H3_1 117.6 . . ?
Pt1 C3_1 H3_1 117.6 . . ?
C3_1 C4_1 C7_1 101.9(4) . . ?
C3_1 C4_1 C5_1 103.1(4) . . ?
C7_1 C4_1 C5_1 99.8(4) . . ?
C3_1 C4_1 H4_1 116.5 . . ?
C7_1 C4_1 H4_1 116.5 . . ?
C5_1 C4_1 H4_1 116.5 . . ?
C6_1 C5_1 C4_1 102.8(4) . . ?
C6_1 C5_1 H5A_1 111.2 . . ?
C4_1 C5_1 H5A_1 111.2 . . ?
C6_1 C5_1 H5B_1 111.2 . . ?
C4_1 C5_1 H5B_1 111.2 . . ?
H5A_1 C5_1 H5B_1 109.1 . . ?
C1_1 C6_1 C5_1 104.0(4) . . ?
C1_1 C6_1 H6A_1 110.9 . . ?
C5_1 C6_1 H6A_1 110.9 . . ?
C1_1 C6_1 H6B_1 110.9 . . ?
C5_1 C6_1 H6B_1 110.9 . . ?
H6A_1 C6_1 H6B_1 109.0 . . ?
C4_1 C7_1 C1_1 94.9(4) . . ?
C4_1 C7_1 H7A_1 112.8 . . ?
C1_1 C7_1 H7A_1 112.8 . . ?
C4_1 C7_1 H7B_1 112.8 . . ?
C1_1 C7_1 H7B_1 112.8 . . ?
H7A_1 C7_1 H7B_1 110.2 . . ?
C7_2 C1_2 C2_2 102.1(5) . . ?
C7_2 C1_2 C6_2 101.6(5) . . ?
C2_2 C1_2 C6_2 103.4(5) . . ?
C7_2 C1_2 H1_2 115.9 . . ?
C2_2 C1_2 H1_2 115.9 . . ?
C6_2 C1_2 H1_2 115.9 . . ?
C3_2 C2_2 C1_2 106.5(4) . . ?
C3_2 C2_2 Pt1 70.6(3) . . ?
C1_2 C2_2 Pt1 117.2(3) . . ?
C3_2 C2_2 H2_2 117.6 . . ?
C1_2 C2_2 H2_2 117.6 . . ?
Pt1 C2_2 H2_2 117.6 . . ?
C2_2 C3_2 C4_2 105.6(4) . . ?
C2_2 C3_2 Pt1 72.3(3) . . ?
C4_2 C3_2 Pt1 116.0(4) . . ?
C2_2 C3_2 H3_2 117.9 . . ?
C4_2 C3_2 H3_2 117.9 . . ?
Pt1 C3_2 H3_2 117.9 . . ?
C3_2 C4_2 C7_2 101.7(4) . . ?
C3_2 C4_2 C5_2 103.5(6) . . ?
C7_2 C4_2 C5_2 100.0(6) . . ?
C3_2 C4_2 H4_2 116.4 . . ?
C7_2 C4_2 H4_2 116.4 . . ?
C5_2 C4_2 H4_2 116.4 . . ?
C4_2 C5_2 C6_2 102.9(5) . . ?
C4_2 C5_2 H5A_2 111.2 . . ?
C6_2 C5_2 H5A_2 111.2 . . ?
C4_2 C5_2 H5B_2 111.2 . . ?
C6_2 C5_2 H5B_2 111.2 . . ?
H5A_2 C5_2 H5B_2 109.1 . . ?
C1_2 C6_2 C5_2 103.0(5) . . ?
C1_2 C6_2 H6A_2 111.2 . . ?
C5_2 C6_2 H6A_2 111.2 . . ?
C1_2 C6_2 H6B_2 111.2 . . ?
C5_2 C6_2 H6B_2 111.2 . . ?
H6A_2 C6_2 H6B_2 109.1 . . ?
C1_2 C7_2 C4_2 95.1(6) . . ?
C1_2 C7_2 H7A_2 112.7 . . ?
C4_2 C7_2 H7A_2 112.7 . . ?
C1_2 C7_2 H7B_2 112.7 . . ?
C4_2 C7_2 H7B_2 112.7 . . ?
H7A_2 C7_2 H7B_2 110.2 . . ?
C2_3 C1_3 C7_3 102.5(5) . . ?
C2_3 C1_3 C6_3 104.2(5) . . ?
C7_3 C1_3 C6_3 101.4(6) . . ?
C2_3 C1_3 H1_3 115.6 . . ?
C7_3 C1_3 H1_3 115.6 . . ?
C6_3 C1_3 H1_3 115.6 . . ?
C3_3 C2_3 C1_3 106.3(5) . . ?
C3_3 C2_3 Pt1 71.5(3) . . ?
C1_3 C2_3 Pt1 117.8(3) . . ?
C3_3 C2_3 H2_3 117.3 . . ?
C1_3 C2_3 H2_3 117.3 . . ?
Pt1 C2_3 H2_3 117.3 . . ?
C2_3 C3_3 C4_3 105.7(4) . . ?
C2_3 C3_3 Pt1 71.3(3) . . ?
C4_3 C3_3 Pt1 116.5(4) . . ?
C2_3 C3_3 H3_3 117.9 . . ?
C4_3 C3_3 H3_3 117.9 . . ?
Pt1 C3_3 H3_3 117.9 . . ?
C3_3 C4_3 C5_3 103.7(5) . . ?
C3_3 C4_3 C7_3 102.0(4) . . ?
C5_3 C4_3 C7_3 99.2(5) . . ?
C3_3 C4_3 H4_3 116.5 . . ?
C5_3 C4_3 H4_3 116.5 . . ?
C7_3 C4_3 H4_3 116.5 . . ?
C6_3 C5_3 C4_3 103.7(5) . . ?
C6_3 C5_3 H5A_3 111.0 . . ?
C4_3 C5_3 H5A_3 111.0 . . ?
C6_3 C5_3 H5B_3 111.0 . . ?
C4_3 C5_3 H5B_3 111.0 . . ?
H5A_3 C5_3 H5B_3 109.0 . . ?
C5_3 C6_3 C1_3 103.3(5) . . ?
C5_3 C6_3 H6A_3 111.1 . . ?
C1_3 C6_3 H6A_3 111.1 . . ?
C5_3 C6_3 H6B_3 111.1 . . ?
C1_3 C6_3 H6B_3 111.1 . . ?
H6A_3 C6_3 H6B_3 109.1 . . ?
C1_3 C7_3 C4_3 93.9(5) . . ?
C1_3 C7_3 H7A_3 112.9 . . ?
C4_3 C7_3 H7A_3 112.9 . . ?
C1_3 C7_3 H7B_3 112.9 . . ?
C4_3 C7_3 H7B_3 112.9 . . ?
H7A_3 C7_3 H7B_3 110.4 . . ?
C6_4 C1_4 C2_4 118.3(4) . . ?
C6_4 C1_4 P1 119.0(3) . . ?
C2_4 C1_4 P1 122.7(3) . . ?
C1_4 C2_4 C3_4 119.7(5) . . ?
C1_4 C2_4 H2_4 120.1 . . ?
C3_4 C2_4 H2_4 120.1 . . ?
C4_4 C3_4 C2_4 120.5(5) . . ?
C4_4 C3_4 H3_4 119.8 . . ?
C2_4 C3_4 H3_4 119.8 . . ?
C3_4 C4_4 C5_4 120.7(5) . . ?
C3_4 C4_4 H4_4 119.6 . . ?
C5_4 C4_4 H4_4 119.6 . . ?
C6_4 C5_4 C4_4 119.4(5) . . ?
C6_4 C5_4 H5_4 120.3 . . ?
C4_4 C5_4 H5_4 120.3 . . ?
C1_4 C6_4 C5_4 121.2(4) . . ?
C1_4 C6_4 H6_4 119.4 . . ?
C5_4 C6_4 H6_4 119.4 . . ?
C2_5 C1_5 C6_5 118.1(5) . . ?
C2_5 C1_5 P1 120.3(4) . . ?
C6_5 C1_5 P1 120.8(4) . . ?
C1_5 C2_5 C3_5 120.9(6) . . ?
C1_5 C2_5 H2_5 119.6 . . ?
C3_5 C2_5 H2_5 119.6 . . ?
C4_5 C3_5 C2_5 120.6(6) . . ?
C4_5 C3_5 H3_5 119.7 . . ?
C2_5 C3_5 H3_5 119.7 . . ?
C3_5 C4_5 C5_5 119.0(5) . . ?
C3_5 C4_5 H4_5 120.5 . . ?
C5_5 C4_5 H4_5 120.5 . . ?
C6_5 C5_5 C4_5 120.0(6) . . ?
C6_5 C5_5 H5_5 120.0 . . ?
C4_5 C5_5 H5_5 120.0 . . ?
C5_5 C6_5 C1_5 120.3(5) . . ?
C5_5 C6_5 H6_5 119.9 . . ?
C1_5 C6_5 H6_5 119.9 . . ?
C6_6 C1_6 C2_6 119.2(4) . . ?
C6_6 C1_6 P1 119.3(4) . . ?
C2_6 C1_6 P1 121.5(3) . . ?
C3_6 C2_6 C1_6 120.7(5) . . ?
C3_6 C2_6 H2_6 119.7 . . ?
C1_6 C2_6 H2_6 119.7 . . ?
C2_6 C3_6 C4_6 119.9(5) . . ?
C2_6 C3_6 H3_6 120.0 . . ?
C4_6 C3_6 H3_6 120.0 . . ?
C5_6 C4_6 C3_6 119.8(5) . . ?
C5_6 C4_6 H4_6 120.1 . . ?
C3_6 C4_6 H4_6 120.1 . . ?
C4_6 C5_6 C6_6 120.3(5) . . ?
C4_6 C5_6 H5_6 119.8 . . ?
C6_6 C5_6 H5_6 119.8 . . ?
C1_6 C6_6 C5_6 120.1(5) . . ?
C1_6 C6_6 H6_6 120.0 . . ?
C5_6 C6_6 H6_6 120.0 . . ?
C2_7 C1_7 C6_7 115.2(3) . . ?
C2_7 C1_7 B1 123.0(3) . . ?
C6_7 C1_7 B1 121.6(3) . . ?
C3_7 C2_7 C1_7 122.7(3) . . ?
C3_7 C2_7 H2_7 118.7 . . ?
C1_7 C2_7 H2_7 118.7 . . ?
C2_7 C3_7 C4_7 120.9(4) . . ?
C2_7 C3_7 C1 118.8(3) . . ?
C4_7 C3_7 C1 120.3(3) . . ?
C5_7 C4_7 C3_7 117.4(4) . . ?
C5_7 C4_7 H4_7 121.3 . . ?
C3_7 C4_7 H4_7 121.3 . . ?
C4_7 C5_7 C6_7 121.5(4) . . ?
C4_7 C5_7 C2 119.8(4) . . ?
C6_7 C5_7 C2 118.7(4) . . ?
C5_7 C6_7 C1_7 122.3(3) . . ?
C5_7 C6_7 H6_7 118.9 . . ?
C1_7 C6_7 H6_7 118.9 . . ?
C6_8 C1_8 C2_8 115.9(3) . . ?
C6_8 C1_8 B1 122.0(3) . . ?
C2_8 C1_8 B1 121.9(3) . . ?
C3_8 C2_8 C1_8 122.0(3) . . ?
C3_8 C2_8 H2_8 119.0 . . ?
C1_8 C2_8 H2_8 119.0 . . ?
C4_8 C3_8 C2_8 121.0(3) . . ?
C4_8 C3_8 C3 120.2(4) . . ?
C2_8 C3_8 C3 118.9(4) . . ?
C5_8 C4_8 C3_8 117.7(3) . . ?
C5_8 C4_8 H4_8 121.2 . . ?
C3_8 C4_8 H4_8 121.2 . . ?
C4_8 C5_8 C6_8 121.5(3) . . ?
C4_8 C5_8 C4 119.1(3) . . ?
C6_8 C5_8 C4 119.4(3) . . ?
C5_8 C6_8 C1_8 121.9(3) . . ?
C5_8 C6_8 H6_8 119.0 . . ?
C1_8 C6_8 H6_8 119.0 . . ?
C6_9 C1_9 C2_9 115.8(3) . . ?
C6_9 C1_9 B1 122.2(3) . . ?
C2_9 C1_9 B1 121.7(3) . . ?
C3_9 C2_9 C1_9 122.1(3) . . ?
C3_9 C2_9 H2_9 118.9 . . ?
C1_9 C2_9 H2_9 118.9 . . ?
C4_9 C3_9 C2_9 121.0(3) . . ?
C4_9 C3_9 C5 117.8(3) . . ?
C2_9 C3_9 C5 121.2(3) . . ?
C3_9 C4_9 C5_9 117.8(4) . . ?
C3_9 C4_9 H4_9 121.1 . . ?
C5_9 C4_9 H4_9 121.1 . . ?
C6_9 C5_9 C4_9 121.0(3) . . ?
C6_9 C5_9 C6 119.2(4) . . ?
C4_9 C5_9 C6 119.9(4) . . ?
C5_9 C6_9 C1_9 122.2(3) . . ?
C5_9 C6_9 H6_9 118.9 . . ?
C1_9 C6_9 H6_9 118.9 . . ?
C6_10 C1_10 C2_10 115.3(3) . . ?
C6_10 C1_10 B1 122.9(3) . . ?
C2_10 C1_10 B1 121.6(3) . . ?
C3_10 C2_10 C1_10 122.7(3) . . ?
C3_10 C2_10 H2_10 118.6 . . ?
C1_10 C2_10 H2_10 118.6 . . ?
C2_10 C3_10 C4_10 121.0(3) . . ?
C2_10 C3_10 C7 119.5(3) . . ?
C4_10 C3_10 C7 119.5(3) . . ?
C5_10 C4_10 C3_10 117.4(3) . . ?
C5_10 C4_10 H4_10 121.3 . . ?
C3_10 C4_10 H4_10 121.3 . . ?
C4_10 C5_10 C6_10 121.5(3) . . ?
C4_10 C5_10 C8 119.4(4) . . ?
C6_10 C5_10 C8 119.1(3) . . ?
C5_10 C6_10 C1_10 122.0(3) . . ?
C5_10 C6_10 H6_10 119.0 . . ?
C1_10 C6_10 H6_10 119.0 . . ?
Cl1_11 C1_11 Cl2_11 112.8(4) . . ?
Cl1_11 C1_11 H1A_11 109.0 . . ?
Cl2_11 C1_11 H1A_11 109.0 . . ?
Cl1_11 C1_11 H1B_11 109.0 . . ?
Cl2_11 C1_11 H1B_11 109.0 . . ?
H1A_11 C1_11 H1B_11 107.8 . . ?
Cl2_12 C1_12 Cl1_12 110.9(7) . . ?
Cl2_12 C1_12 H1A_12 109.5 . . ?
Cl1_12 C1_12 H1A_12 109.5 . . ?
Cl2_12 C1_12 H1B_12 109.5 . . ?
Cl1_12 C1_12 H1B_12 109.5 . . ?
H1A_12 C1_12 H1B_12 108.0 . . ?
Cl1_13 C1_13 Cl2_13 110.4(7) . . ?
Cl1_13 C1_13 H1A_13 109.6 . . ?
Cl2_13 C1_13 H1A_13 109.6 . . ?
Cl1_13 C1_13 H1B_13 109.6 . . ?
Cl2_13 C1_13 H1B_13 109.6 . . ?
H1A_13 C1_13 H1B_13 108.1 . . ?
Cl1_14 C1_14 Cl2_14 111.3(6) . . ?
Cl1_14 C1_14 H1A_14 109.4 . . ?
Cl2_14 C1_14 H1A_14 109.4 . . ?
Cl1_14 C1_14 H1B_14 109.4 . . ?
Cl2_14 C1_14 H1B_14 109.4 . . ?
H1A_14 C1_14 H1B_14 108.0 . . ?
Cl2_15 C1_15 Cl1_15 111.0(10) . . ?
Cl2_15 C1_15 H1A_15 109.4 . . ?
Cl1_15 C1_15 H1A_15 109.4 . . ?
Cl2_15 C1_15 H1B_15 109.4 . . ?
Cl1_15 C1_15 H1B_15 109.4 . . ?
H1A_15 C1_15 H1B_15 108.0 . . ?
Cl1_16 C1_16 Cl2_16 111.1(14) . . ?
Cl1_16 C1_16 H1A_16 109.4 . . ?
Cl2_16 C1_16 H1A_16 109.4 . . ?
Cl1_16 C1_16 H1B_16 109.4 . . ?
Cl2_16 C1_16 H1B_16 109.4 . . ?
H1A_16 C1_16 H1B_16 108.0 . . ?

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
C6_1 C1_1 C2_1 C3_1 -70.4(5) . . . . ?
C7_1 C1_1 C2_1 C3_1 33.2(5) . . . . ?
C6_1 C1_1 C2_1 Pt1 -147.4(3) . . . . ?
C7_1 C1_1 C2_1 Pt1 -43.8(4) . . . . ?
C1_1 C2_1 C3_1 C4_1 -1.5(5) . . . . ?
Pt1 C2_1 C3_1 C4_1 113.5(3) . . . . ?
C1_1 C2_1 C3_1 Pt1 -115.0(3) . . . . ?
C2_1 C3_1 C4_1 C7_1 -31.0(5) . . . . ?
Pt1 C3_1 C4_1 C7_1 46.6(4) . . . . ?
C2_1 C3_1 C4_1 C5_1 72.1(5) . . . . ?
Pt1 C3_1 C4_1 C5_1 149.8(3) . . . . ?
C3_1 C4_1 C5_1 C6_1 -68.5(5) . . . . ?
C7_1 C4_1 C5_1 C6_1 36.3(5) . . . . ?
C2_1 C1_1 C6_1 C5_1 69.6(5) . . . . ?
C7_1 C1_1 C6_1 C5_1 -35.4(5) . . . . ?
C4_1 C5_1 C6_1 C1_1 -0.3(5) . . . . ?
C3_1 C4_1 C7_1 C1_1 48.3(4) . . . . ?
C5_1 C4_1 C7_1 C1_1 -57.4(4) . . . . ?
C2_1 C1_1 C7_1 C4_1 -49.5(4) . . . . ?
C6_1 C1_1 C7_1 C4_1 57.4(4) . . . . ?
C7_2 C1_2 C2_2 C3_2 33.5(6) . . . . ?
C6_2 C1_2 C2_2 C3_2 -71.6(6) . . . . ?
C7_2 C1_2 C2_2 Pt1 -42.8(6) . . . . ?
C6_2 C1_2 C2_2 Pt1 -147.9(4) . . . . ?
C1_2 C2_2 C3_2 C4_2 -0.8(5) . . . . ?
Pt1 C2_2 C3_2 C4_2 112.9(4) . . . . ?
C1_2 C2_2 C3_2 Pt1 -113.7(4) . . . . ?
C2_2 C3_2 C4_2 C7_2 -31.1(6) . . . . ?
Pt1 C3_2 C4_2 C7_2 46.5(6) . . . . ?
C2_2 C3_2 C4_2 C5_2 72.4(6) . . . . ?
Pt1 C3_2 C4_2 C5_2 150.0(4) . . . . ?
C3_2 C4_2 C5_2 C6_2 -69.3(7) . . . . ?
C7_2 C4_2 C5_2 C6_2 35.5(7) . . . . ?
C7_2 C1_2 C6_2 C5_2 -35.4(7) . . . . ?
C2_2 C1_2 C6_2 C5_2 70.2(7) . . . . ?
C4_2 C5_2 C6_2 C1_2 -0.9(8) . . . . ?
C2_2 C1_2 C7_2 C4_2 -49.7(5) . . . . ?
C6_2 C1_2 C7_2 C4_2 56.9(5) . . . . ?
C3_2 C4_2 C7_2 C1_2 49.3(5) . . . . ?
C5_2 C4_2 C7_2 C1_2 -56.9(6) . . . . ?
C7_3 C1_3 C2_3 C3_3 34.3(6) . . . . ?
C6_3 C1_3 C2_3 C3_3 -71.0(6) . . . . ?
C7_3 C1_3 C2_3 Pt1 -43.0(6) . . . . ?
C6_3 C1_3 C2_3 Pt1 -148.3(4) . . . . ?
C1_3 C2_3 C3_3 C4_3 -1.3(5) . . . . ?
Pt1 C2_3 C3_3 C4_3 113.2(4) . . . . ?
C1_3 C2_3 C3_3 Pt1 -114.5(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 71.4(6) . . . . ?
Pt1 C3_3 C4_3 C5_3 148.1(4) . . . . ?
C2_3 C3_3 C4_3 C7_3 -31.3(5) . . . . ?
Pt1 C3_3 C4_3 C7_3 45.4(5) . . . . ?
C3_3 C4_3 C5_3 C6_3 -68.4(7) . . . . ?
C7_3 C4_3 C5_3 C6_3 36.5(6) . . . . ?
C4_3 C5_3 C6_3 C1_3 -1.2(7) . . . . ?
C2_3 C1_3 C6_3 C5_3 70.4(6) . . . . ?
C7_3 C1_3 C6_3 C5_3 -35.8(6) . . . . ?
C2_3 C1_3 C7_3 C4_3 -50.2(5) . . . . ?
C6_3 C1_3 C7_3 C4_3 57.3(5) . . . . ?
C3_3 C4_3 C7_3 C1_3 49.3(5) . . . . ?
C5_3 C4_3 C7_3 C1_3 -57.0(5) . . . . ?
C1_6 P1 C1_4 C6_4 60.3(4) . . . . ?
C1_5 P1 C1_4 C6_4 173.3(4) . . . . ?
Au1 P1 C1_4 C6_4 -65.4(4) . . . . ?
C1_6 P1 C1_4 C2_4 -121.0(5) . . . . ?
C1_5 P1 C1_4 C2_4 -8.0(5) . . . . ?
Au1 P1 C1_4 C2_4 113.4(5) . . . . ?
C6_4 C1_4 C2_4 C3_4 -2.0(9) . . . . ?
P1 C1_4 C2_4 C3_4 179.2(5) . . . . ?
C1_4 C2_4 C3_4 C4_4 -1.3(11) . . . . ?
C2_4 C3_4 C4_4 C5_4 3.8(10) . . . . ?
C3_4 C4_4 C5_4 C6_4 -2.8(9) . . . . ?
C2_4 C1_4 C6_4 C5_4 3.0(8) . . . . ?
P1 C1_4 C6_4 C5_4 -178.2(5) . . . . ?
C4_4 C5_4 C6_4 C1_4 -0.6(9) . . . . ?
C1_4 P1 C1_5 C2_5 108.0(6) . . . . ?
C1_6 P1 C1_5 C2_5 -139.8(5) . . . . ?
Au1 P1 C1_5 C2_5 -17.4(6) . . . . ?
C1_4 P1 C1_5 C6_5 -62.4(5) . . . . ?
C1_6 P1 C1_5 C6_5 49.8(5) . . . . ?
Au1 P1 C1_5 C6_5 172.2(5) . . . . ?
C6_5 C1_5 C2_5 C3_5 -9.0(11) . . . . ?
P1 C1_5 C2_5 C3_5 -179.6(6) . . . . ?
C1_5 C2_5 C3_5 C4_5 0.9(13) . . . . ?
C2_5 C3_5 C4_5 C5_5 8.0(12) . . . . ?
C3_5 C4_5 C5_5 C6_5 -8.6(12) . . . . ?
C4_5 C5_5 C6_5 C1_5 0.4(11) . . . . ?
C2_5 C1_5 C6_5 C5_5 8.3(10) . . . . ?
P1 C1_5 C6_5 C5_5 178.9(6) . . . . ?
C1_4 P1 C1_6 C6_6 -150.8(4) . . . . ?
C1_5 P1 C1_6 C6_6 96.2(4) . . . . ?
Au1 P1 C1_6 C6_6 -23.6(4) . . . . ?
C1_4 P1 C1_6 C2_6 31.8(4) . . . . ?
C1_5 P1 C1_6 C2_6 -81.2(4) . . . . ?
Au1 P1 C1_6 C2_6 158.9(3) . . . . ?
C6_6 C1_6 C2_6 C3_6 -0.4(7) . . . . ?
P1 C1_6 C2_6 C3_6 177.0(4) . . . . ?
C1_6 C2_6 C3_6 C4_6 2.0(7) . . . . ?
C2_6 C3_6 C4_6 C5_6 -2.4(8) . . . . ?
C3_6 C4_6 C5_6 C6_6 1.2(9) . . . . ?
C2_6 C1_6 C6_6 C5_6 -0.8(8) . . . . ?
P1 C1_6 C6_6 C5_6 -178.3(5) . . . . ?
C4_6 C5_6 C6_6 C1_6 0.4(9) . . . . ?
C1_10 B1 C1_7 C2_7 34.0(5) . . . . ?
C1_8 B1 C1_7 C2_7 152.6(3) . . . . ?
C1_9 B1 C1_7 C2_7 -86.9(4) . . . . ?
C1_10 B1 C1_7 C6_7 -152.1(3) . . . . ?
C1_8 B1 C1_7 C6_7 -33.5(5) . . . . ?
C1_9 B1 C1_7 C6_7 87.0(4) . . . . ?
C6_7 C1_7 C2_7 C3_7 1.8(5) . . . . ?
B1 C1_7 C2_7 C3_7 176.1(3) . . . . ?
C1_7 C2_7 C3_7 C4_7 -1.6(6) . . . . ?
C1_7 C2_7 C3_7 C1 177.7(4) . . . . ?
F3 C1 C3_7 C2_7 -62.8(5) . . . . ?
F1 C1 C3_7 C2_7 175.3(4) . . . . ?
F2 C1 C3_7 C2_7 54.7(5) . . . . ?
F3 C1 C3_7 C4_7 116.5(5) . . . . ?
F1 C1 C3_7 C4_7 -5.4(6) . . . . ?
F2 C1 C3_7 C4_7 -125.9(4) . . . . ?
C2_7 C3_7 C4_7 C5_7 -0.1(6) . . . . ?
C1 C3_7 C4_7 C5_7 -179.4(4) . . . . ?
C3_7 C4_7 C5_7 C6_7 1.4(6) . . . . ?
C3_7 C4_7 C5_7 C2 179.8(4) . . . . ?
F7B C2 C5_7 C4_7 -63.9(16) . . . . ?
F1B C2 C5_7 C4_7 -1.0(11) . . . . ?
F8B C2 C5_7 C4_7 156.8(17) . . . . ?
F5B C2 C5_7 C4_7 -145.3(13) . . . . ?
F4B C2 C5_7 C4_7 -18(2) . . . . ?
F3B C2 C5_7 C4_7 128.4(6) . . . . ?
F6B C2 C5_7 C4_7 98.8(13) . . . . ?
F2B C2 C5_7 C4_7 -116.8(6) . . . . ?
F9B C2 C5_7 C4_7 44.5(13) . . . . ?
F7B C2 C5_7 C6_7 114.5(16) . . . . ?
F1B C2 C5_7 C6_7 177.4(9) . . . . ?
F8B C2 C5_7 C6_7 -24.8(18) . . . . ?
F5B C2 C5_7 C6_7 33.1(14) . . . . ?
F4B C2 C5_7 C6_7 161(2) . . . . ?
F3B C2 C5_7 C6_7 -53.2(8) . . . . ?
F6B C2 C5_7 C6_7 -82.8(13) . . . . ?
F2B C2 C5_7 C6_7 61.6(6) . . . . ?
F9B C2 C5_7 C6_7 -137.1(13) . . . . ?
C4_7 C5_7 C6_7 C1_7 -1.2(6) . . . . ?
C2 C5_7 C6_7 C1_7 -179.5(4) . . . . ?
C2_7 C1_7 C6_7 C5_7 -0.5(6) . . . . ?
B1 C1_7 C6_7 C5_7 -174.8(4) . . . . ?
C1_10 B1 C1_8 C6_8 -88.0(4) . . . . ?
C1_7 B1 C1_8 C6_8 148.7(3) . . . . ?
C1_9 B1 C1_8 C6_8 33.6(5) . . . . ?
C1_10 B1 C1_8 C2_8 86.4(4) . . . . ?
C1_7 B1 C1_8 C2_8 -36.8(5) . . . . ?
C1_9 B1 C1_8 C2_8 -152.0(3) . . . . ?
C6_8 C1_8 C2_8 C3_8 -2.2(6) . . . . ?
B1 C1_8 C2_8 C3_8 -177.0(4) . . . . ?
C1_8 C2_8 C3_8 C4_8 1.4(6) . . . . ?
C1_8 C2_8 C3_8 C3 179.7(4) . . . . ?
F7 C3 C3_8 C4_8 101.9(5) . . . . ?
F9 C3 C3_8 C4_8 -18.3(7) . . . . ?
F8 C3 C3_8 C4_8 -137.6(5) . . . . ?
F7 C3 C3_8 C2_8 -76.4(6) . . . . ?
F9 C3 C3_8 C2_8 163.4(4) . . . . ?
F8 C3 C3_8 C2_8 44.1(6) . . . . ?
C2_8 C3_8 C4_8 C5_8 0.3(6) . . . . ?
C3 C3_8 C4_8 C5_8 -178.0(4) . . . . ?
C3_8 C4_8 C5_8 C6_8 -0.9(6) . . . . ?
C3_8 C4_8 C5_8 C4 177.5(4) . . . . ?
F4A C4 C5_8 C4_8 21.8(8) . . . . ?
F1A C4 C5_8 C4_8 169.4(15) . . . . ?
F6A C4 C5_8 C4_8 143.3(8) . . . . ?
F5A C4 C5_8 C4_8 -100.4(9) . . . . ?
F2A C4 C5_8 C4_8 49.9(17) . . . . ?
F3A C4 C5_8 C4_8 -68.0(17) . . . . ?
F4A C4 C5_8 C6_8 -159.8(7) . . . . ?
F1A C4 C5_8 C6_8 -12.2(16) . . . . ?
F6A C4 C5_8 C6_8 -38.3(9) . . . . ?
F5A C4 C5_8 C6_8 78.0(9) . . . . ?
F2A C4 C5_8 C6_8 -131.7(17) . . . . ?
F3A C4 C5_8 C6_8 110.4(17) . . . . ?
C4_8 C5_8 C6_8 C1_8 -0.1(6) . . . . ?
C4 C5_8 C6_8 C1_8 -178.4(4) . . . . ?
C2_8 C1_8 C6_8 C5_8 1.6(5) . . . . ?
B1 C1_8 C6_8 C5_8 176.3(3) . . . . ?
C1_10 B1 C1_9 C6_9 -28.4(5) . . . . ?
C1_7 B1 C1_9 C6_9 93.4(4) . . . . ?
C1_8 B1 C1_9 C6_9 -145.9(3) . . . . ?
C1_10 B1 C1_9 C2_9 157.7(3) . . . . ?
C1_7 B1 C1_9 C2_9 -80.5(4) . . . . ?
C1_8 B1 C1_9 C2_9 40.2(4) . . . . ?
C6_9 C1_9 C2_9 C3_9 0.7(5) . . . . ?
B1 C1_9 C2_9 C3_9 174.9(3) . . . . ?
C1_9 C2_9 C3_9 C4_9 0.5(6) . . . . ?
C1_9 C2_9 C3_9 C5 179.4(4) . . . . ?
F15 C5 C3_9 C4_9 -53.1(6) . . . . ?
F13 C5 C3_9 C4_9 -175.8(4) . . . . ?
F14 C5 C3_9 C4_9 63.7(5) . . . . ?
F15 C5 C3_9 C2_9 127.9(4) . . . . ?
F13 C5 C3_9 C2_9 5.2(6) . . . . ?
F14 C5 C3_9 C2_9 -115.3(4) . . . . ?
C2_9 C3_9 C4_9 C5_9 -1.1(6) . . . . ?
C5 C3_9 C4_9 C5_9 179.9(4) . . . . ?
C3_9 C4_9 C5_9 C6_9 0.7(6) . . . . ?
C3_9 C4_9 C5_9 C6 -179.1(4) . . . . ?
F18 C6 C5_9 C6_9 162.5(4) . . . . ?
F16 C6 C5_9 C6_9 41.9(6) . . . . ?
F17 C6 C5_9 C6_9 -77.1(5) . . . . ?
F18 C6 C5_9 C4_9 -17.7(7) . . . . ?
F16 C6 C5_9 C4_9 -138.4(4) . . . . ?
F17 C6 C5_9 C4_9 102.7(5) . . . . ?
C4_9 C5_9 C6_9 C1_9 0.5(6) . . . . ?
C6 C5_9 C6_9 C1_9 -179.7(4) . . . . ?
C2_9 C1_9 C6_9 C5_9 -1.2(5) . . . . ?
B1 C1_9 C6_9 C5_9 -175.4(3) . . . . ?
C1_7 B1 C1_10 C6_10 30.6(5) . . . . ?
C1_8 B1 C1_10 C6_10 -92.0(4) . . . . ?
C1_9 B1 C1_10 C6_10 146.4(3) . . . . ?
C1_7 B1 C1_10 C2_10 -154.4(3) . . . . ?
C1_8 B1 C1_10 C2_10 82.9(4) . . . . ?
C1_9 B1 C1_10 C2_10 -38.7(5) . . . . ?
C6_10 C1_10 C2_10 C3_10 -2.0(5) . . . . ?
B1 C1_10 C2_10 C3_10 -177.3(3) . . . . ?
C1_10 C2_10 C3_10 C4_10 1.3(6) . . . . ?
C1_10 C2_10 C3_10 C7 -177.4(4) . . . . ?
F4C C7 C3_10 C2_10 -27(2) . . . . ?
F1C C7 C3_10 C2_10 160.4(4) . . . . ?
F6C C7 C3_10 C2_10 96.0(18) . . . . ?
F3C C7 C3_10 C2_10 -75.8(5) . . . . ?
F5C C7 C3_10 C2_10 -150.2(19) . . . . ?
F2C C7 C3_10 C2_10 40.0(6) . . . . ?
F4C C7 C3_10 C4_10 154.6(19) . . . . ?
F1C C7 C3_10 C4_10 -18.4(6) . . . . ?
F6C C7 C3_10 C4_10 -82.7(18) . . . . ?
F3C C7 C3_10 C4_10 105.4(5) . . . . ?
F5C C7 C3_10 C4_10 31(2) . . . . ?
F2C C7 C3_10 C4_10 -138.8(4) . . . . ?
C2_10 C3_10 C4_10 C5_10 0.3(6) . . . . ?
C7 C3_10 C4_10 C5_10 179.1(4) . . . . ?
C3_10 C4_10 C5_10 C6_10 -1.3(6) . . . . ?
C3_10 C4_10 C5_10 C8 -179.0(4) . . . . ?
F24 C8 C5_10 C4_10 -16.0(6) . . . . ?
F22 C8 C5_10 C4_10 -138.7(4) . . . . ?
F23 C8 C5_10 C4_10 103.5(5) . . . . ?
F24 C8 C5_10 C6_10 166.2(4) . . . . ?
F22 C8 C5_10 C6_10 43.5(5) . . . . ?
F23 C8 C5_10 C6_10 -74.3(5) . . . . ?
C4_10 C5_10 C6_10 C1_10 0.5(6) . . . . ?
C8 C5_10 C6_10 C1_10 178.3(4) . . . . ?
C2_10 C1_10 C6_10 C5_10 1.1(5) . . . . ?
B1 C1_10 C6_10 C5_10 176.3(4) . . . . ?

_chemical_properties_physical    Heat-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_BB_LDE21_RT_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1966142'
loop_
_audit_author_name
_audit_author_address
'Burkhard Butschke' 'Albert Ludwigs Universitaet Freiburg'
_audit_update_record             
;
2019-11-16 deposited with the CCDC.	2020-04-02 downloaded from the CCDC.
;
_audit_creation_method           'FinalCif by Daniel Kratzert, Freiburg 2019'
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C71 H57 Au B F24 P Pt'
_chemical_formula_moiety         'C32 H12 B F24, C39 H45 Au P Pt'
_chemical_formula_weight         1800.00
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3657(11)
_cell_length_b                   15.5627(14)
_cell_length_c                   19.1346(18)
_cell_angle_alpha                95.961(3)
_cell_angle_beta                 108.064(3)
_cell_angle_gamma                101.326(3)
_cell_volume                     3378.6(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    100.0
_cell_measurement_reflns_used    9617
_cell_measurement_theta_min      2.275
_cell_measurement_theta_max      25.3305
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Crystals were grown at -78 °C from a solution of the compound in methylenechloride saturated at -50 °C. After warming the crystals to room temperature,the majority of the sample decomposed. The "survivors" were picked and providedthe current data.'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    4.369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_T_max  0.7296
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.845
_shelx_estimated_absorpt_T_max   0.845
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100.0
_diffrn_ambient_environment      ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_radiation_probe          ?
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            311174
_diffrn_reflns_av_unetI/netI     0.0516
_diffrn_reflns_av_R_equivalents  0.1122
_diffrn_reflns_theta_min         1.918
_diffrn_reflns_theta_max         30.608
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             20666
_reflns_number_gt                15508
_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       'APEX3 v2018.7-2'
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_reduction        'SAINT V8.38A'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'FinalCif by Daniel Kratzert, Freiburg 2019'
_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)+(0.0383P)²+2.5816P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         20666
_refine_ls_number_parameters     974
_refine_ls_number_restraints     371
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0930
_refine_ls_wR_factor_gt          0.0858
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.736
_refine_diff_density_min         -1.916
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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_
_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
Au1 Au 0.63774(2) 0.21933(2) 0.77975(2) 0.02555(4) Uani 1 1 d . . . . .
Pt1 Pt 0.81738(2) 0.18436(2) 0.87482(2) 0.02415(4) Uani 1 1 d . . . . .
P1 P 0.48122(9) 0.25415(6) 0.70226(6) 0.02257(19) Uani 1 1 d . . . . .
B1 B 0.6944(3) 0.2718(2) 0.3120(2) 0.0168(7) Uani 1 1 d . . . . .
C1 C 0.3160(4) 0.3841(3) 0.2307(4) 0.0493(13) Uani 1 1 d . . . . .
C2 C 0.4835(4) 0.2887(4) 0.0377(2) 0.0476(14) Uani 1 1 d . . . . .
C3 C 0.6531(4) -0.0210(3) 0.1414(3) 0.0361(10) Uani 1 1 d . . . . .
C4A C 1.0474(9) 0.1387(9) 0.3165(8) 0.0412(12) Uani 0.49(3) 1 d D U P A 1
F1B F 1.1040(12) 0.2025(13) 0.3742(13) 0.084(5) Uani 0.49(3) 1 d D U P A 1
F2B F 1.0995(15) 0.1526(15) 0.2665(10) 0.075(4) Uani 0.49(3) 1 d D U P A 1
F3B F 1.0672(19) 0.0628(12) 0.3395(14) 0.071(4) Uani 0.49(3) 1 d D U P A 1
C4B C 1.0455(9) 0.1350(9) 0.3257(8) 0.0412(12) Uani 0.51(3) 1 d D U P A 2
F4B F 1.0722(16) 0.0557(7) 0.3198(10) 0.056(3) Uani 0.51(3) 1 d D U P A 2
F5B F 1.0860(14) 0.1685(14) 0.3977(7) 0.077(4) Uani 0.51(3) 1 d D U P A 2
F6B F 1.1120(13) 0.1836(13) 0.2949(15) 0.083(4) Uani 0.51(3) 1 d D U P A 2
C5 C 1.0182(4) 0.5121(3) 0.2832(2) 0.0292(9) Uani 1 1 d . . . . .
C6 C 0.8571(3) 0.5804(2) 0.4853(2) 0.0252(7) Uani 1 1 d D . . . .
F1A F 0.9657(3) 0.6327(3) 0.5256(2) 0.0286(9) Uani 0.653(3) 1 d D U P B 1
F2A F 0.8208(6) 0.5417(5) 0.5359(4) 0.0466(17) Uani 0.653(3) 1 d D U P B 1
F3A F 0.7924(6) 0.6365(4) 0.4612(3) 0.0496(15) Uani 0.653(3) 1 d D U P B 1
F4A F 0.9427(16) 0.6048(17) 0.5477(9) 0.054(5) Uani 0.154(3) 1 d D U P B 2
F5A F 0.7545(14) 0.5584(12) 0.4991(13) 0.040(2) Uani 0.154(3) 1 d D U P B 2
F6A F 0.847(2) 0.6594(11) 0.4601(13) 0.038(4) Uani 0.154(3) 1 d D U P B 2
F7A F 0.8657(15) 0.5435(15) 0.5469(10) 0.029(3) Uani 0.193(3) 1 d D U P B 3
F8A F 0.7494(11) 0.5983(13) 0.4705(9) 0.034(3) Uani 0.193(3) 1 d D U P B 3
F9A F 0.9327(14) 0.6583(8) 0.5066(10) 0.040(2) Uani 0.193(3) 1 d D U P B 3
C7 C 0.8004(4) 0.1909(3) 0.5753(2) 0.0313(9) Uani 1 1 d . . . . .
C8 C 0.3926(4) 0.0755(3) 0.3997(3) 0.0337(9) Uani 1 1 d . . . . .
F1 F 0.3014(3) 0.4588(2) 0.2050(3) 0.0901(13) Uani 1 1 d . . . . .
F2 F 0.2133(3) 0.3278(2) 0.2059(3) 0.0931(14) Uani 1 1 d . . . . .
F3 F 0.3407(3) 0.4055(3) 0.3039(2) 0.0821(12) Uani 1 1 d . . . . .
F4 F 0.3784(3) 0.2788(2) -0.01146(16) 0.0658(10) Uani 1 1 d . . . . .
F5 F 0.5216(3) 0.2165(2) 0.01947(15) 0.0619(9) Uani 1 1 d . . . . .
F6 F 0.5549(3) 0.3584(2) 0.02452(15) 0.0593(9) Uani 1 1 d . . . . .
F7 F 0.5852(3) 0.00440(18) 0.08197(14) 0.0486(7) Uani 1 1 d . . . . .
F8 F 0.7121(3) -0.07225(19) 0.11586(17) 0.0561(8) Uani 1 1 d . . . . .
F9 F 0.5775(3) -0.07451(19) 0.16548(16) 0.0554(8) Uani 1 1 d . . . . .
F13 F 0.9592(2) 0.52632(17) 0.21541(14) 0.0393(6) Uani 1 1 d . . . . .
F14 F 1.0744(2) 0.45015(17) 0.27170(16) 0.0419(6) Uani 1 1 d . . . . .
F15 F 1.1003(2) 0.58776(17) 0.31710(15) 0.0465(7) Uani 1 1 d . . . . .
F19 F 0.8203(2) 0.11078(16) 0.58335(14) 0.0391(6) Uani 1 1 d . . . . .
F20 F 0.7695(3) 0.2182(2) 0.63321(14) 0.0550(8) Uani 1 1 d . . . . .
F21 F 0.9055(2) 0.24420(18) 0.58462(15) 0.0523(8) Uani 1 1 d . . . . .
F22 F 0.3124(2) 0.1083(2) 0.3547(2) 0.0801(13) Uani 1 1 d . . . . .
F23 F 0.3807(2) -0.00726(18) 0.36403(15) 0.0471(7) Uani 1 1 d . . . . .
F24 F 0.3630(2) 0.06345(18) 0.45946(16) 0.0463(7) Uani 1 1 d . . . . .
C1_1 C 1.0077(4) 0.1300(3) 0.8117(2) 0.0299(9) Uani 1 1 d . . . . .
H1_1 H 1.003512 0.066727 0.818392 0.036 Uiso 1 1 calc R U . . .
C2_1 C 0.8913(3) 0.1562(3) 0.7870(2) 0.0252(8) Uani 1 1 d . . . . .
H2_1 H 0.835404 0.129449 0.735554 0.030 Uiso 1 1 calc R U . . .
C3_1 C 0.9182(3) 0.2489(3) 0.8081(2) 0.0271(8) Uani 1 1 d . . . . .
H3_1 H 0.878375 0.283276 0.770888 0.033 Uiso 1 1 calc R U . . .
C4_1 C 1.0510(4) 0.2796(3) 0.8437(2) 0.0310(9) Uani 1 1 d . . . . .
H4_1 H 1.082387 0.339698 0.876241 0.037 Uiso 1 1 calc R U . . .
C5_1 C 1.0953(4) 0.2653(3) 0.7770(3) 0.0375(10) Uani 1 1 d . . . . .
H5A_1 H 1.180525 0.291954 0.791939 0.045 Uiso 1 1 calc R U . . .
H5AB_1 H 1.053151 0.291495 0.734848 0.045 Uiso 1 1 calc R U . . .
C6_1 C 1.0674(4) 0.1617(3) 0.7560(2) 0.0339(9) Uani 1 1 d . . . . .
H6A_1 H 1.013963 0.140577 0.703744 0.041 Uiso 1 1 calc R U . . .
H6AB_1 H 1.139936 0.140786 0.762539 0.041 Uiso 1 1 calc R U . . .
C7_1 C 1.0801(4) 0.2010(3) 0.8813(2) 0.0337(9) Uani 1 1 d . . . . .
H7A_1 H 1.050699 0.194946 0.923535 0.040 Uiso 1 1 calc R U . . .
H7AB_1 H 1.164790 0.202713 0.897405 0.040 Uiso 1 1 calc R U . . .
C1_2 C 0.7798(4) 0.0193(3) 0.9581(3) 0.0446(12) Uani 1 1 d . . . . .
H1_2 H 0.808435 0.045901 1.012334 0.054 Uiso 1 1 calc R U . . .
C2_2 C 0.7109(4) 0.0713(3) 0.9049(2) 0.0365(10) Uani 1 1 d . . . . .
H2_2 H 0.632560 0.076124 0.907161 0.044 Uiso 1 1 calc R U . . .
C3_2 C 0.7185(4) 0.0423(3) 0.8355(2) 0.0288(8) Uani 1 1 d . . . . .
H3_2 H 0.644860 0.028977 0.791230 0.035 Uiso 1 1 calc R U . . .
C4_2 C 0.7882(4) -0.0278(3) 0.8451(3) 0.0361(10) Uani 1 1 d . . . . .
H4_2 H 0.823776 -0.039766 0.805847 0.043 Uiso 1 1 calc R U . . .
C5_2 C 0.7066(4) -0.1091(3) 0.8579(3) 0.0433(11) Uani 1 1 d . . . . .
H5A_2 H 0.740610 -0.161690 0.858597 0.052 Uiso 1 1 calc R U . . .
H5AB_2 H 0.628326 -0.124418 0.818592 0.052 Uiso 1 1 calc R U . . .
C6_2 C 0.6988(5) -0.0771(3) 0.9357(3) 0.0506(14) Uani 1 1 d . . . . .
H6A_2 H 0.728310 -0.115200 0.971889 0.061 Uiso 1 1 calc R U . . .
H6AB_2 H 0.617280 -0.076389 0.931936 0.061 Uiso 1 1 calc R U . . .
C7_2 C 0.8741(4) 0.0061(3) 0.9247(3) 0.0425(12) Uani 1 1 d . . . . .
H7A_2 H 0.931439 0.062438 0.929376 0.051 Uiso 1 1 calc R U . . .
H7AB_2 H 0.915280 -0.038944 0.945418 0.051 Uiso 1 1 calc R U . . .
C1_3 C 0.9802(5) 0.3353(4) 1.0106(3) 0.0542(14) Uani 1 1 d . . . . .
H1_3 H 1.055070 0.353115 1.000197 0.065 Uiso 1 1 calc R U . . .
C2_3 C 0.8678(4) 0.3171(3) 0.9435(3) 0.0424(11) Uani 1 1 d . . . . .
H2_3 H 0.848460 0.367891 0.918188 0.051 Uiso 1 1 calc R U . . .
C3_3 C 0.7815(5) 0.2646(3) 0.9640(3) 0.0465(12) Uani 1 1 d . . . . .
H3_3 H 0.703430 0.279569 0.950894 0.056 Uiso 1 1 calc R U . . .
C4_3 C 0.8376(5) 0.2523(4) 1.0436(3) 0.0589(16) Uani 1 1 d . . . . .
H4_3 H 0.795190 0.200903 1.059845 0.071 Uiso 1 1 calc R U . . .
C5_3 C 0.8615(6) 0.3454(4) 1.0914(3) 0.073(2) Uani 1 1 d . . . . .
H5A_3 H 0.889851 0.342995 1.145410 0.088 Uiso 1 1 calc R U . . .
H5AB_3 H 0.789863 0.368353 1.079606 0.088 Uiso 1 1 calc R U . . .
C6_3 C 0.9587(6) 0.4046(5) 1.0685(3) 0.074(2) Uani 1 1 d . . . . .
H6A_3 H 1.030857 0.430122 1.112106 0.088 Uiso 1 1 calc R U . . .
H6AB_3 H 0.930743 0.453520 1.044913 0.088 Uiso 1 1 calc R U . . .
C7_3 C 0.9637(5) 0.2500(4) 1.0443(3) 0.0583(16) Uani 1 1 d . . . . .
H7A_3 H 1.020173 0.256146 1.095297 0.070 Uiso 1 1 calc R U . . .
H7AB_3 H 0.965198 0.196706 1.011808 0.070 Uiso 1 1 calc R U . . .
C1_4 C 0.4355(3) 0.3395(2) 0.7509(2) 0.0229(7) Uani 1 1 d . . . . .
C2_4 C 0.4482(4) 0.3413(3) 0.8258(2) 0.0354(10) Uani 1 1 d . . . . .
H2_4 H 0.481893 0.298839 0.851568 0.042 Uiso 1 1 calc R U . . .
C3_4 C 0.4117(5) 0.4049(3) 0.8628(3) 0.0418(11) Uani 1 1 d . . . . .
H3_4 H 0.422328 0.406873 0.914299 0.050 Uiso 1 1 calc R U . . .
C4_4 C 0.3602(4) 0.4654(3) 0.8254(2) 0.0289(8) Uani 1 1 d . . . . .
H4_4 H 0.333360 0.507934 0.850674 0.035 Uiso 1 1 calc R U . . .
C5_4 C 0.3479(3) 0.4638(2) 0.7513(2) 0.0263(8) Uani 1 1 d . . . . .
H5_4 H 0.312761 0.505755 0.725632 0.032 Uiso 1 1 calc R U . . .
C6_4 C 0.3860(3) 0.4020(2) 0.7140(2) 0.0258(8) Uani 1 1 d . . . . .
H6_4 H 0.378382 0.402184 0.663019 0.031 Uiso 1 1 calc R U . . .
C1_5 C 0.5059(4) 0.2996(3) 0.6235(2) 0.0268(8) Uani 1 1 d . . . . .
C2_5 C 0.6079(4) 0.3659(3) 0.6368(3) 0.0402(11) Uani 1 1 d . . . . .
H2_5 H 0.666096 0.381288 0.685072 0.048 Uiso 1 1 calc R U . . .
C3_5 C 0.6243(5) 0.4086(3) 0.5805(3) 0.0469(12) Uani 1 1 d . . . . .
H3_5 H 0.692891 0.454551 0.590093 0.056 Uiso 1 1 calc R U . . .
C4_5 C 0.5409(4) 0.3850(3) 0.5093(3) 0.0413(11) Uani 1 1 d . . . . .
H4_5 H 0.552501 0.414857 0.470433 0.050 Uiso 1 1 calc R U . . .
C5_5 C 0.4418(4) 0.3186(3) 0.4952(2) 0.0366(10) Uani 1 1 d . . . . .
H5_5 H 0.385380 0.301992 0.446278 0.044 Uiso 1 1 calc R U . . .
C6_5 C 0.4238(4) 0.2757(3) 0.5520(2) 0.0314(9) Uani 1 1 d . . . . .
H6_5 H 0.355011 0.229731 0.542004 0.038 Uiso 1 1 calc R U . . .
C1_6 C 0.3551(3) 0.1599(3) 0.6628(2) 0.0249(8) Uani 1 1 d . . . . .
C2_6 C 0.3707(4) 0.0744(3) 0.6539(2) 0.0311(9) Uani 1 1 d . . . . .
H2_6 H 0.447277 0.064638 0.671794 0.037 Uiso 1 1 calc R U . . .
C3_6 C 0.2753(4) 0.0029(3) 0.6190(2) 0.0372(10) Uani 1 1 d . . . . .
H3_6 H 0.286589 -0.055795 0.613933 0.045 Uiso 1 1 calc R U . . .
C4_6 C 0.1641(4) 0.0164(3) 0.5914(2) 0.0358(10) Uani 1 1 d . . . . .
H4_6 H 0.099177 -0.032807 0.566660 0.043 Uiso 1 1 calc R U . . .
C5_6 C 0.1471(4) 0.1011(3) 0.5999(2) 0.0357(10) Uani 1 1 d . . . . .
H5_6 H 0.070213 0.109991 0.580987 0.043 Uiso 1 1 calc R U . . .
C6_6 C 0.2409(3) 0.1733(3) 0.6356(2) 0.0303(9) Uani 1 1 d . . . . .
H6_6 H 0.228556 0.231567 0.641690 0.036 Uiso 1 1 calc R U . . .
C1_7 C 0.5846(3) 0.2913(2) 0.2470(2) 0.0206(7) Uani 1 1 d . . . . .
C2_7 C 0.5760(3) 0.2815(2) 0.1718(2) 0.0253(8) Uani 1 1 d . . . . .
H2_7 H 0.634052 0.259621 0.157589 0.030 Uiso 1 1 calc R U . . .
C3_7 C 0.4865(4) 0.3023(3) 0.1175(2) 0.0331(10) Uani 1 1 d . . . . .
C4_7 C 0.4023(4) 0.3361(3) 0.1360(3) 0.0401(11) Uani 1 1 d . . . . .
H4_7 H 0.340906 0.350604 0.098618 0.048 Uiso 1 1 calc R U . . .
C5_7 C 0.4086(4) 0.3486(3) 0.2103(3) 0.0338(10) Uani 1 1 d . . . . .
C6_7 C 0.4976(3) 0.3267(2) 0.2647(2) 0.0251(8) Uani 1 1 d . . . . .
H6_7 H 0.500101 0.335710 0.315101 0.030 Uiso 1 1 calc R U . . .
C1_8 C 0.7521(3) 0.1970(2) 0.27982(19) 0.0197(7) Uani 1 1 d . . . . .
C2_8 C 0.8711(3) 0.1986(2) 0.3107(2) 0.0226(7) Uani 1 1 d . . . . .
H2_8 H 0.920938 0.246948 0.348788 0.027 Uiso 1 1 calc R U . . .
C3_8 C 0.9191(3) 0.1319(3) 0.2874(2) 0.0302(8) Uani 1 1 d D . . . .
C4_8 C 0.8496(4) 0.0604(3) 0.2318(2) 0.0326(9) Uani 1 1 d . . . . .
H4_8 H 0.882428 0.015256 0.215351 0.039 Uiso 1 1 calc R U . . .
C5_8 C 0.7314(3) 0.0563(3) 0.2008(2) 0.0261(8) Uani 1 1 d . . . . .
C6_8 C 0.6838(3) 0.1225(2) 0.2250(2) 0.0215(7) Uani 1 1 d . . . . .
H6_8 H 0.601929 0.117223 0.203664 0.026 Uiso 1 1 calc R U . . .
C1_9 C 0.7883(3) 0.3689(2) 0.34332(18) 0.0171(6) Uani 1 1 d . . . . .
C2_9 C 0.7891(3) 0.4300(2) 0.40311(19) 0.0196(7) Uani 1 1 d . . . . .
H2_9 H 0.738250 0.412504 0.430189 0.024 Uiso 1 1 calc R U . . .
C3_9 C 0.8625(3) 0.5156(2) 0.42380(19) 0.0202(7) Uani 1 1 d D . . . .
C4_9 C 0.9380(3) 0.5441(2) 0.3860(2) 0.0220(7) Uani 1 1 d . . . . .
H4_9 H 0.987971 0.602346 0.400208 0.026 Uiso 1 1 calc R U . . .
C5_9 C 0.9383(3) 0.4848(2) 0.3266(2) 0.0214(7) Uani 1 1 d . . . . .
C6_9 C 0.8651(3) 0.3999(2) 0.30583(19) 0.0192(7) Uani 1 1 d . . . . .
H6_9 H 0.867055 0.361301 0.264635 0.023 Uiso 1 1 calc R U . . .
C1_10 C 0.6556(3) 0.2290(2) 0.37816(19) 0.0183(7) Uani 1 1 d . . . . .
C2_10 C 0.5431(3) 0.1761(2) 0.3643(2) 0.0210(7) Uani 1 1 d . . . . .
H2_10 H 0.484734 0.169992 0.316845 0.025 Uiso 1 1 calc R U . . .
C3_10 C 0.5146(3) 0.1321(2) 0.4187(2) 0.0249(8) Uani 1 1 d . . . . .
C4_10 C 0.5973(3) 0.1387(2) 0.4875(2) 0.0252(8) Uani 1 1 d . . . . .
H4_10 H 0.577817 0.109084 0.524578 0.030 Uiso 1 1 calc R U . . .
C5_10 C 0.7099(3) 0.1894(2) 0.50183(19) 0.0234(8) Uani 1 1 d . . . . .
C6_10 C 0.7376(3) 0.2339(2) 0.44810(19) 0.0199(7) Uani 1 1 d . . . . .
H6_10 H 0.815074 0.268815 0.459488 0.024 Uiso 1 1 calc R U . . .


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
Au1 P1 2.2445(10) . ?
Au1 Pt1 2.5911(3) . ?
Pt1 C2_3 2.192(4) . ?
Pt1 C2_1 2.193(4) . ?
Pt1 C3_3 2.216(5) . ?
Pt1 C2_2 2.221(4) . ?
Pt1 C3_1 2.226(4) . ?
Pt1 C3_2 2.230(4) . ?
P1 C1_5 1.812(4) . ?
P1 C1_6 1.816(4) . ?
P1 C1_4 1.821(4) . ?
B1 C1_7 1.636(5) . ?
B1 C1_9 1.638(5) . ?
B1 C1_8 1.642(5) . ?
B1 C1_10 1.644(5) . ?
C1 F2 1.307(6) . ?
C1 F3 1.329(7) . ?
C1 F1 1.330(6) . ?
C1 C5_7 1.500(7) . ?
C2 F4 1.316(5) . ?
C2 F5 1.354(7) . ?
C2 F6 1.356(5) . ?
C2 C3_7 1.508(6) . ?
C3 F8 1.333(5) . ?
C3 F7 1.336(5) . ?
C3 F9 1.350(5) . ?
C3 C5_8 1.501(5) . ?
C4A F1B 1.309(11) . ?
C4A F2B 1.322(11) . ?
C4A F3B 1.342(11) . ?
C4A C3_8 1.488(11) . ?
C4B F5B 1.320(11) . ?
C4B F6B 1.321(11) . ?
C4B F4B 1.343(11) . ?
C4B C3_8 1.495(11) . ?
C5 F14 1.331(5) . ?
C5 F13 1.341(5) . ?
C5 F15 1.342(4) . ?
C5 C5_9 1.505(5) . ?
C6 F4A 1.286(12) . ?
C6 F9A 1.313(10) . ?
C6 F3A 1.320(5) . ?
C6 F2A 1.336(6) . ?
C6 F7A 1.349(11) . ?
C6 F5A 1.361(11) . ?
C6 F8A 1.363(10) . ?
C6 F1A 1.363(5) . ?
C6 F6A 1.381(12) . ?
C6 C3_9 1.496(5) . ?
C7 F19 1.333(5) . ?
C7 F20 1.334(5) . ?
C7 F21 1.346(5) . ?
C7 C5_10 1.495(5) . ?
C8 F22 1.321(5) . ?
C8 F24 1.325(5) . ?
C8 F23 1.352(5) . ?
C8 C3_10 1.501(5) . ?
C1_1 C2_1 1.520(5) . ?
C1_1 C7_1 1.536(6) . ?
C1_1 C6_1 1.542(6) . ?
C1_1 H1_1 1.0000 . ?
C2_1 C3_1 1.400(5) . ?
C2_1 H2_1 1.0000 . ?
C3_1 C4_1 1.523(6) . ?
C3_1 H3_1 1.0000 . ?
C4_1 C7_1 1.528(6) . ?
C4_1 C5_1 1.549(6) . ?
C4_1 H4_1 1.0000 . ?
C5_1 C6_1 1.563(6) . ?
C5_1 H5A_1 0.9900 . ?
C5_1 H5AB_1 0.9900 . ?
C6_1 H6A_1 0.9900 . ?
C6_1 H6AB_1 0.9900 . ?
C7_1 H7A_1 0.9900 . ?
C7_1 H7AB_1 0.9900 . ?
C1_2 C2_2 1.523(7) . ?
C1_2 C7_2 1.529(7) . ?
C1_2 C6_2 1.564(6) . ?
C1_2 H1_2 1.0000 . ?
C2_2 C3_2 1.395(6) . ?
C2_2 H2_2 1.0000 . ?
C3_2 C4_2 1.509(6) . ?
C3_2 H3_2 1.0000 . ?
C4_2 C7_2 1.529(6) . ?
C4_2 C5_2 1.549(6) . ?
C4_2 H4_2 1.0000 . ?
C5_2 C6_2 1.557(7) . ?
C5_2 H5A_2 0.9900 . ?
C5_2 H5AB_2 0.9900 . ?
C6_2 H6A_2 0.9900 . ?
C6_2 H6AB_2 0.9900 . ?
C7_2 H7A_2 0.9900 . ?
C7_2 H7AB_2 0.9900 . ?
C1_3 C2_3 1.524(7) . ?
C1_3 C7_3 1.541(8) . ?
C1_3 C6_3 1.583(7) . ?
C1_3 H1_3 1.0000 . ?
C2_3 C3_3 1.394(7) . ?
C2_3 H2_3 1.0000 . ?
C3_3 C4_3 1.514(7) . ?
C3_3 H3_3 1.0000 . ?
C4_3 C5_3 1.553(8) . ?
C4_3 C7_3 1.563(8) . ?
C4_3 H4_3 1.0000 . ?
C5_3 C6_3 1.570(8) . ?
C5_3 H5A_3 0.9900 . ?
C5_3 H5AB_3 0.9900 . ?
C6_3 H6A_3 0.9900 . ?
C6_3 H6AB_3 0.9900 . ?
C7_3 H7A_3 0.9900 . ?
C7_3 H7AB_3 0.9900 . ?
C1_4 C2_4 1.388(5) . ?
C1_4 C6_4 1.390(5) . ?
C2_4 C3_4 1.382(6) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.377(6) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.375(5) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.380(5) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?
C1_5 C6_5 1.387(6) . ?
C1_5 C2_5 1.398(6) . ?
C2_5 C3_5 1.370(6) . ?
C2_5 H2_5 0.9500 . ?
C3_5 C4_5 1.388(7) . ?
C3_5 H3_5 0.9500 . ?
C4_5 C5_5 1.372(7) . ?
C4_5 H4_5 0.9500 . ?
C5_5 C6_5 1.387(6) . ?
C5_5 H5_5 0.9500 . ?
C6_5 H6_5 0.9500 . ?
C1_6 C2_6 1.383(5) . ?
C1_6 C6_6 1.411(5) . ?
C2_6 C3_6 1.385(6) . ?
C2_6 H2_6 0.9500 . ?
C3_6 C4_6 1.379(7) . ?
C3_6 H3_6 0.9500 . ?
C4_6 C5_6 1.376(6) . ?
C4_6 H4_6 0.9500 . ?
C5_6 C6_6 1.383(6) . ?
C5_6 H5_6 0.9500 . ?
C6_6 H6_6 0.9500 . ?
C1_7 C2_7 1.399(5) . ?
C1_7 C6_7 1.413(5) . ?
C2_7 C3_7 1.382(5) . ?
C2_7 H2_7 0.9500 . ?
C3_7 C4_7 1.374(7) . ?
C4_7 C5_7 1.391(7) . ?
C4_7 H4_7 0.9500 . ?
C5_7 C6_7 1.385(6) . ?
C6_7 H6_7 0.9500 . ?
C1_8 C2_8 1.399(5) . ?
C1_8 C6_8 1.403(5) . ?
C2_8 C3_8 1.392(5) . ?
C2_8 H2_8 0.9500 . ?
C3_8 C4_8 1.386(6) . ?
C4_8 C5_8 1.383(6) . ?
C4_8 H4_8 0.9500 . ?
C5_8 C6_8 1.389(5) . ?
C6_8 H6_8 0.9500 . ?
C1_9 C6_9 1.401(5) . ?
C1_9 C2_9 1.405(5) . ?
C2_9 C3_9 1.395(5) . ?
C2_9 H2_9 0.9500 . ?
C3_9 C4_9 1.383(5) . ?
C4_9 C5_9 1.390(5) . ?
C4_9 H4_9 0.9500 . ?
C5_9 C6_9 1.385(5) . ?
C6_9 H6_9 0.9500 . ?
C1_10 C6_10 1.390(5) . ?
C1_10 C2_10 1.399(5) . ?
C2_10 C3_10 1.400(5) . ?
C2_10 H2_10 0.9500 . ?
C3_10 C4_10 1.374(5) . ?
C4_10 C5_10 1.387(5) . ?
C4_10 H4_10 0.9500 . ?
C5_10 C6_10 1.388(5) . ?
C6_10 H6_10 0.9500 . ?

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
P1 Au1 Pt1 177.05(3) . . ?
C2_3 Pt1 C2_1 121.17(16) . . ?
C2_3 Pt1 C3_3 36.86(18) . . ?
C2_1 Pt1 C3_3 157.85(17) . . ?
C2_3 Pt1 C2_2 119.64(17) . . ?
C2_1 Pt1 C2_2 118.56(16) . . ?
C3_3 Pt1 C2_2 83.57(18) . . ?
C2_3 Pt1 C3_1 85.06(16) . . ?
C2_1 Pt1 C3_1 36.94(14) . . ?
C3_3 Pt1 C3_1 121.03(17) . . ?
C2_2 Pt1 C3_1 155.28(16) . . ?
C2_3 Pt1 C3_2 155.41(16) . . ?
C2_1 Pt1 C3_2 83.39(15) . . ?
C3_3 Pt1 C3_2 118.56(17) . . ?
C2_2 Pt1 C3_2 36.53(15) . . ?
C3_1 Pt1 C3_2 119.04(14) . . ?
C2_3 Pt1 Au1 92.48(14) . . ?
C2_1 Pt1 Au1 91.31(10) . . ?
C3_3 Pt1 Au1 87.83(15) . . ?
C2_2 Pt1 Au1 94.16(12) . . ?
C3_1 Pt1 Au1 85.11(11) . . ?
C3_2 Pt1 Au1 85.39(11) . . ?
C1_5 P1 C1_6 105.92(18) . . ?
C1_5 P1 C1_4 104.93(18) . . ?
C1_6 P1 C1_4 106.91(17) . . ?
C1_5 P1 Au1 114.60(14) . . ?
C1_6 P1 Au1 113.10(13) . . ?
C1_4 P1 Au1 110.76(13) . . ?
C1_7 B1 C1_9 104.1(3) . . ?
C1_7 B1 C1_8 112.4(3) . . ?
C1_9 B1 C1_8 111.6(3) . . ?
C1_7 B1 C1_10 113.0(3) . . ?
C1_9 B1 C1_10 112.7(3) . . ?
C1_8 B1 C1_10 103.4(3) . . ?
F2 C1 F3 105.6(5) . . ?
F2 C1 F1 106.9(4) . . ?
F3 C1 F1 104.5(5) . . ?
F2 C1 C5_7 113.2(4) . . ?
F3 C1 C5_7 113.3(4) . . ?
F1 C1 C5_7 112.6(5) . . ?
F4 C2 F5 106.4(4) . . ?
F4 C2 F6 106.8(4) . . ?
F5 C2 F6 105.1(5) . . ?
F4 C2 C3_7 113.5(5) . . ?
F5 C2 C3_7 113.0(4) . . ?
F6 C2 C3_7 111.5(4) . . ?
F8 C3 F7 106.5(4) . . ?
F8 C3 F9 106.8(4) . . ?
F7 C3 F9 104.8(4) . . ?
F8 C3 C5_8 113.1(4) . . ?
F7 C3 C5_8 112.7(4) . . ?
F9 C3 C5_8 112.4(4) . . ?
F1B C4A F2B 106.3(10) . . ?
F1B C4A F3B 106.2(11) . . ?
F2B C4A F3B 107.1(12) . . ?
F1B C4A C3_8 113.4(10) . . ?
F2B C4A C3_8 113.6(11) . . ?
F3B C4A C3_8 109.7(13) . . ?
F5B C4B F6B 106.7(10) . . ?
F5B C4B F4B 106.0(10) . . ?
F6B C4B F4B 103.7(11) . . ?
F5B C4B C3_8 114.7(10) . . ?
F6B C4B C3_8 110.6(11) . . ?
F4B C4B C3_8 114.2(12) . . ?
F14 C5 F13 106.2(3) . . ?
F14 C5 F15 106.9(3) . . ?
F13 C5 F15 106.1(3) . . ?
F14 C5 C5_9 112.3(3) . . ?
F13 C5 C5_9 111.9(3) . . ?
F15 C5 C5_9 112.9(3) . . ?
F3A C6 F2A 108.9(5) . . ?
F9A C6 F7A 106.9(12) . . ?
F4A C6 F5A 109.3(13) . . ?
F9A C6 F8A 105.6(10) . . ?
F7A C6 F8A 100.9(9) . . ?
F3A C6 F1A 105.1(4) . . ?
F2A C6 F1A 104.2(4) . . ?
F4A C6 F6A 103.6(13) . . ?
F5A C6 F6A 99.9(11) . . ?
F4A C6 C3_9 120.5(11) . . ?
F9A C6 C3_9 118.8(7) . . ?
F3A C6 C3_9 113.4(4) . . ?
F2A C6 C3_9 113.6(4) . . ?
F7A C6 C3_9 110.4(11) . . ?
F5A C6 C3_9 112.5(7) . . ?
F8A C6 C3_9 112.5(8) . . ?
F1A C6 C3_9 110.9(3) . . ?
F6A C6 C3_9 108.5(10) . . ?
F19 C7 F20 106.2(3) . . ?
F19 C7 F21 105.3(4) . . ?
F20 C7 F21 106.9(3) . . ?
F19 C7 C5_10 112.3(3) . . ?
F20 C7 C5_10 112.6(4) . . ?
F21 C7 C5_10 113.0(3) . . ?
F22 C8 F24 108.0(4) . . ?
F22 C8 F23 105.9(4) . . ?
F24 C8 F23 105.1(3) . . ?
F22 C8 C3_10 112.7(3) . . ?
F24 C8 C3_10 112.9(4) . . ?
F23 C8 C3_10 111.7(3) . . ?
C2_1 C1_1 C7_1 102.4(3) . . ?
C2_1 C1_1 C6_1 104.2(3) . . ?
C7_1 C1_1 C6_1 100.1(3) . . ?
C2_1 C1_1 H1_1 116.0 . . ?
C7_1 C1_1 H1_1 116.0 . . ?
C6_1 C1_1 H1_1 116.0 . . ?
C3_1 C2_1 C1_1 105.9(3) . . ?
C3_1 C2_1 Pt1 72.8(2) . . ?
C1_1 C2_1 Pt1 116.0(3) . . ?
C3_1 C2_1 H2_1 117.8 . . ?
C1_1 C2_1 H2_1 117.8 . . ?
Pt1 C2_1 H2_1 117.8 . . ?
C2_1 C3_1 C4_1 106.8(3) . . ?
C2_1 C3_1 Pt1 70.2(2) . . ?
C4_1 C3_1 Pt1 118.0(3) . . ?
C2_1 C3_1 H3_1 117.4 . . ?
C4_1 C3_1 H3_1 117.4 . . ?
Pt1 C3_1 H3_1 117.4 . . ?
C3_1 C4_1 C7_1 101.6(3) . . ?
C3_1 C4_1 C5_1 103.7(3) . . ?
C7_1 C4_1 C5_1 100.4(3) . . ?
C3_1 C4_1 H4_1 116.3 . . ?
C7_1 C4_1 H4_1 116.3 . . ?
C5_1 C4_1 H4_1 116.3 . . ?
C4_1 C5_1 C6_1 103.1(3) . . ?
C4_1 C5_1 H5A_1 111.1 . . ?
C6_1 C5_1 H5A_1 111.1 . . ?
C4_1 C5_1 H5AB_1 111.1 . . ?
C6_1 C5_1 H5AB_1 111.1 . . ?
H5A_1 C5_1 H5AB_1 109.1 . . ?
C1_1 C6_1 C5_1 102.8(3) . . ?
C1_1 C6_1 H6A_1 111.2 . . ?
C5_1 C6_1 H6A_1 111.2 . . ?
C1_1 C6_1 H6AB_1 111.2 . . ?
C5_1 C6_1 H6AB_1 111.2 . . ?
H6A_1 C6_1 H6AB_1 109.1 . . ?
C4_1 C7_1 C1_1 94.8(3) . . ?
C4_1 C7_1 H7A_1 112.8 . . ?
C1_1 C7_1 H7A_1 112.8 . . ?
C4_1 C7_1 H7AB_1 112.8 . . ?
C1_1 C7_1 H7AB_1 112.8 . . ?
H7A_1 C7_1 H7AB_1 110.2 . . ?
C2_2 C1_2 C7_2 102.4(4) . . ?
C2_2 C1_2 C6_2 103.8(4) . . ?
C7_2 C1_2 C6_2 100.5(4) . . ?
C2_2 C1_2 H1_2 116.0 . . ?
C7_2 C1_2 H1_2 116.0 . . ?
C6_2 C1_2 H1_2 116.0 . . ?
C3_2 C2_2 C1_2 105.2(4) . . ?
C3_2 C2_2 Pt1 72.1(2) . . ?
C1_2 C2_2 Pt1 115.8(3) . . ?
C3_2 C2_2 H2_2 118.1 . . ?
C1_2 C2_2 H2_2 118.1 . . ?
Pt1 C2_2 H2_2 118.1 . . ?
C2_2 C3_2 C4_2 107.5(4) . . ?
C2_2 C3_2 Pt1 71.4(2) . . ?
C4_2 C3_2 Pt1 117.6(3) . . ?
C2_2 C3_2 H3_2 117.2 . . ?
C4_2 C3_2 H3_2 117.2 . . ?
Pt1 C3_2 H3_2 117.2 . . ?
C3_2 C4_2 C7_2 101.4(4) . . ?
C3_2 C4_2 C5_2 104.8(4) . . ?
C7_2 C4_2 C5_2 100.1(4) . . ?
C3_2 C4_2 H4_2 116.1 . . ?
C7_2 C4_2 H4_2 116.1 . . ?
C5_2 C4_2 H4_2 116.1 . . ?
C4_2 C5_2 C6_2 103.5(4) . . ?
C4_2 C5_2 H5A_2 111.1 . . ?
C6_2 C5_2 H5A_2 111.1 . . ?
C4_2 C5_2 H5AB_2 111.1 . . ?
C6_2 C5_2 H5AB_2 111.1 . . ?
H5A_2 C5_2 H5AB_2 109.0 . . ?
C5_2 C6_2 C1_2 102.2(4) . . ?
C5_2 C6_2 H6A_2 111.3 . . ?
C1_2 C6_2 H6A_2 111.3 . . ?
C5_2 C6_2 H6AB_2 111.3 . . ?
C1_2 C6_2 H6AB_2 111.3 . . ?
H6A_2 C6_2 H6AB_2 109.2 . . ?
C4_2 C7_2 C1_2 94.7(4) . . ?
C4_2 C7_2 H7A_2 112.8 . . ?
C1_2 C7_2 H7A_2 112.8 . . ?
C4_2 C7_2 H7AB_2 112.8 . . ?
C1_2 C7_2 H7AB_2 112.8 . . ?
H7A_2 C7_2 H7AB_2 110.2 . . ?
C2_3 C1_3 C7_3 102.4(4) . . ?
C2_3 C1_3 C6_3 102.8(5) . . ?
C7_3 C1_3 C6_3 101.5(5) . . ?
C2_3 C1_3 H1_3 116.0 . . ?
C7_3 C1_3 H1_3 116.0 . . ?
C6_3 C1_3 H1_3 116.0 . . ?
C3_3 C2_3 C1_3 105.7(4) . . ?
C3_3 C2_3 Pt1 72.5(3) . . ?
C1_3 C2_3 Pt1 115.1(4) . . ?
C3_3 C2_3 H2_3 118.2 . . ?
C1_3 C2_3 H2_3 118.2 . . ?
Pt1 C2_3 H2_3 118.2 . . ?
C2_3 C3_3 C4_3 107.7(5) . . ?
C2_3 C3_3 Pt1 70.6(3) . . ?
C4_3 C3_3 Pt1 117.4(4) . . ?
C2_3 C3_3 H3_3 117.3 . . ?
C4_3 C3_3 H3_3 117.3 . . ?
Pt1 C3_3 H3_3 117.3 . . ?
C3_3 C4_3 C5_3 104.5(5) . . ?
C3_3 C4_3 C7_3 100.7(4) . . ?
C5_3 C4_3 C7_3 101.0(4) . . ?
C3_3 C4_3 H4_3 116.1 . . ?
C5_3 C4_3 H4_3 116.1 . . ?
C7_3 C4_3 H4_3 116.1 . . ?
C4_3 C5_3 C6_3 103.5(4) . . ?
C4_3 C5_3 H5A_3 111.1 . . ?
C6_3 C5_3 H5A_3 111.1 . . ?
C4_3 C5_3 H5AB_3 111.1 . . ?
C6_3 C5_3 H5AB_3 111.1 . . ?
H5A_3 C5_3 H5AB_3 109.0 . . ?
C5_3 C6_3 C1_3 102.1(5) . . ?
C5_3 C6_3 H6A_3 111.3 . . ?
C1_3 C6_3 H6A_3 111.3 . . ?
C5_3 C6_3 H6AB_3 111.3 . . ?
C1_3 C6_3 H6AB_3 111.3 . . ?
H6A_3 C6_3 H6AB_3 109.2 . . ?
C1_3 C7_3 C4_3 93.8(5) . . ?
C1_3 C7_3 H7A_3 113.0 . . ?
C4_3 C7_3 H7A_3 113.0 . . ?
C1_3 C7_3 H7AB_3 113.0 . . ?
C4_3 C7_3 H7AB_3 113.0 . . ?
H7A_3 C7_3 H7AB_3 110.4 . . ?
C2_4 C1_4 C6_4 119.3(4) . . ?
C2_4 C1_4 P1 119.7(3) . . ?
C6_4 C1_4 P1 121.0(3) . . ?
C3_4 C2_4 C1_4 120.0(4) . . ?
C3_4 C2_4 H2_4 120.0 . . ?
C1_4 C2_4 H2_4 120.0 . . ?
C4_4 C3_4 C2_4 120.4(4) . . ?
C4_4 C3_4 H3_4 119.8 . . ?
C2_4 C3_4 H3_4 119.8 . . ?
C5_4 C4_4 C3_4 119.6(4) . . ?
C5_4 C4_4 H4_4 120.2 . . ?
C3_4 C4_4 H4_4 120.2 . . ?
C4_4 C5_4 C6_4 120.7(4) . . ?
C4_4 C5_4 H5_4 119.6 . . ?
C6_4 C5_4 H5_4 119.6 . . ?
C5_4 C6_4 C1_4 119.9(4) . . ?
C5_4 C6_4 H6_4 120.1 . . ?
C1_4 C6_4 H6_4 120.1 . . ?
C6_5 C1_5 C2_5 119.1(4) . . ?
C6_5 C1_5 P1 122.4(3) . . ?
C2_5 C1_5 P1 118.3(3) . . ?
C3_5 C2_5 C1_5 120.3(4) . . ?
C3_5 C2_5 H2_5 119.9 . . ?
C1_5 C2_5 H2_5 119.9 . . ?
C2_5 C3_5 C4_5 120.2(5) . . ?
C2_5 C3_5 H3_5 119.9 . . ?
C4_5 C3_5 H3_5 119.9 . . ?
C5_5 C4_5 C3_5 120.1(4) . . ?
C5_5 C4_5 H4_5 120.0 . . ?
C3_5 C4_5 H4_5 120.0 . . ?
C4_5 C5_5 C6_5 120.1(4) . . ?
C4_5 C5_5 H5_5 119.9 . . ?
C6_5 C5_5 H5_5 119.9 . . ?
C5_5 C6_5 C1_5 120.2(4) . . ?
C5_5 C6_5 H6_5 119.9 . . ?
C1_5 C6_5 H6_5 119.9 . . ?
C2_6 C1_6 C6_6 119.2(4) . . ?
C2_6 C1_6 P1 120.1(3) . . ?
C6_6 C1_6 P1 120.5(3) . . ?
C1_6 C2_6 C3_6 120.3(4) . . ?
C1_6 C2_6 H2_6 119.9 . . ?
C3_6 C2_6 H2_6 119.9 . . ?
C4_6 C3_6 C2_6 120.4(4) . . ?
C4_6 C3_6 H3_6 119.8 . . ?
C2_6 C3_6 H3_6 119.8 . . ?
C5_6 C4_6 C3_6 120.0(4) . . ?
C5_6 C4_6 H4_6 120.0 . . ?
C3_6 C4_6 H4_6 120.0 . . ?
C4_6 C5_6 C6_6 120.6(4) . . ?
C4_6 C5_6 H5_6 119.7 . . ?
C6_6 C5_6 H5_6 119.7 . . ?
C5_6 C6_6 C1_6 119.5(4) . . ?
C5_6 C6_6 H6_6 120.2 . . ?
C1_6 C6_6 H6_6 120.2 . . ?
C2_7 C1_7 C6_7 115.7(3) . . ?
C2_7 C1_7 B1 122.6(3) . . ?
C6_7 C1_7 B1 121.5(3) . . ?
C3_7 C2_7 C1_7 122.6(4) . . ?
C3_7 C2_7 H2_7 118.7 . . ?
C1_7 C2_7 H2_7 118.7 . . ?
C4_7 C3_7 C2_7 120.6(4) . . ?
C4_7 C3_7 C2 120.4(4) . . ?
C2_7 C3_7 C2 118.9(4) . . ?
C3_7 C4_7 C5_7 118.8(4) . . ?
C3_7 C4_7 H4_7 120.6 . . ?
C5_7 C4_7 H4_7 120.6 . . ?
C6_7 C5_7 C4_7 120.6(4) . . ?
C6_7 C5_7 C1 120.3(4) . . ?
C4_7 C5_7 C1 119.1(4) . . ?
C5_7 C6_7 C1_7 121.6(4) . . ?
C5_7 C6_7 H6_7 119.2 . . ?
C1_7 C6_7 H6_7 119.2 . . ?
C2_8 C1_8 C6_8 115.5(3) . . ?
C2_8 C1_8 B1 121.9(3) . . ?
C6_8 C1_8 B1 122.3(3) . . ?
C3_8 C2_8 C1_8 122.3(3) . . ?
C3_8 C2_8 H2_8 118.9 . . ?
C1_8 C2_8 H2_8 118.9 . . ?
C4_8 C3_8 C2_8 120.7(4) . . ?
C4_8 C3_8 C4A 117.8(6) . . ?
C2_8 C3_8 C4A 121.3(6) . . ?
C4_8 C3_8 C4B 119.7(6) . . ?
C2_8 C3_8 C4B 119.5(6) . . ?
C5_8 C4_8 C3_8 118.4(4) . . ?
C5_8 C4_8 H4_8 120.8 . . ?
C3_8 C4_8 H4_8 120.8 . . ?
C4_8 C5_8 C6_8 120.6(4) . . ?
C4_8 C5_8 C3 119.9(4) . . ?
C6_8 C5_8 C3 119.6(4) . . ?
C5_8 C6_8 C1_8 122.5(3) . . ?
C5_8 C6_8 H6_8 118.8 . . ?
C1_8 C6_8 H6_8 118.8 . . ?
C6_9 C1_9 C2_9 115.6(3) . . ?
C6_9 C1_9 B1 120.8(3) . . ?
C2_9 C1_9 B1 123.2(3) . . ?
C3_9 C2_9 C1_9 121.9(3) . . ?
C3_9 C2_9 H2_9 119.1 . . ?
C1_9 C2_9 H2_9 119.1 . . ?
C4_9 C3_9 C2_9 121.2(3) . . ?
C4_9 C3_9 C6 118.3(3) . . ?
C2_9 C3_9 C6 120.5(3) . . ?
C3_9 C4_9 C5_9 117.9(3) . . ?
C3_9 C4_9 H4_9 121.1 . . ?
C5_9 C4_9 H4_9 121.1 . . ?
C6_9 C5_9 C4_9 121.0(3) . . ?
C6_9 C5_9 C5 118.7(3) . . ?
C4_9 C5_9 C5 120.3(3) . . ?
C5_9 C6_9 C1_9 122.5(3) . . ?
C5_9 C6_9 H6_9 118.8 . . ?
C1_9 C6_9 H6_9 118.8 . . ?
C6_10 C1_10 C2_10 116.5(3) . . ?
C6_10 C1_10 B1 121.1(3) . . ?
C2_10 C1_10 B1 121.9(3) . . ?
C1_10 C2_10 C3_10 121.5(3) . . ?
C1_10 C2_10 H2_10 119.2 . . ?
C3_10 C2_10 H2_10 119.2 . . ?
C4_10 C3_10 C2_10 120.7(3) . . ?
C4_10 C3_10 C8 120.6(3) . . ?
C2_10 C3_10 C8 118.7(4) . . ?
C3_10 C4_10 C5_10 118.6(3) . . ?
C3_10 C4_10 H4_10 120.7 . . ?
C5_10 C4_10 H4_10 120.7 . . ?
C4_10 C5_10 C6_10 120.6(3) . . ?
C4_10 C5_10 C7 117.6(3) . . ?
C6_10 C5_10 C7 121.7(3) . . ?
C5_10 C6_10 C1_10 122.1(3) . . ?
C5_10 C6_10 H6_10 118.9 . . ?
C1_10 C6_10 H6_10 118.9 . . ?

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
C7_1 C1_1 C2_1 C3_1 30.9(4) . . . . ?
C6_1 C1_1 C2_1 C3_1 -73.1(4) . . . . ?
C7_1 C1_1 C2_1 Pt1 -47.4(4) . . . . ?
C6_1 C1_1 C2_1 Pt1 -151.4(3) . . . . ?
C1_1 C2_1 C3_1 C4_1 1.5(4) . . . . ?
Pt1 C2_1 C3_1 C4_1 114.4(3) . . . . ?
C1_1 C2_1 C3_1 Pt1 -112.9(3) . . . . ?
C2_1 C3_1 C4_1 C7_1 -33.4(4) . . . . ?
Pt1 C3_1 C4_1 C7_1 42.7(4) . . . . ?
C2_1 C3_1 C4_1 C5_1 70.4(4) . . . . ?
Pt1 C3_1 C4_1 C5_1 146.5(3) . . . . ?
C3_1 C4_1 C5_1 C6_1 -69.9(4) . . . . ?
C7_1 C4_1 C5_1 C6_1 34.9(4) . . . . ?
C2_1 C1_1 C6_1 C5_1 68.6(4) . . . . ?
C7_1 C1_1 C6_1 C5_1 -37.1(4) . . . . ?
C4_1 C5_1 C6_1 C1_1 1.5(4) . . . . ?
C3_1 C4_1 C7_1 C1_1 49.2(4) . . . . ?
C5_1 C4_1 C7_1 C1_1 -57.2(4) . . . . ?
C2_1 C1_1 C7_1 C4_1 -48.8(4) . . . . ?
C6_1 C1_1 C7_1 C4_1 58.3(4) . . . . ?
C7_2 C1_2 C2_2 C3_2 31.3(4) . . . . ?
C6_2 C1_2 C2_2 C3_2 -72.9(5) . . . . ?
C7_2 C1_2 C2_2 Pt1 -45.8(4) . . . . ?
C6_2 C1_2 C2_2 Pt1 -150.1(3) . . . . ?
C1_2 C2_2 C3_2 C4_2 1.2(4) . . . . ?
Pt1 C2_2 C3_2 C4_2 113.9(3) . . . . ?
C1_2 C2_2 C3_2 Pt1 -112.7(3) . . . . ?
C2_2 C3_2 C4_2 C7_2 -33.3(4) . . . . ?
Pt1 C3_2 C4_2 C7_2 44.4(4) . . . . ?
C2_2 C3_2 C4_2 C5_2 70.5(4) . . . . ?
Pt1 C3_2 C4_2 C5_2 148.1(3) . . . . ?
C3_2 C4_2 C5_2 C6_2 -67.9(5) . . . . ?
C7_2 C4_2 C5_2 C6_2 36.8(5) . . . . ?
C4_2 C5_2 C6_2 C1_2 -0.9(5) . . . . ?
C2_2 C1_2 C6_2 C5_2 70.3(5) . . . . ?
C7_2 C1_2 C6_2 C5_2 -35.3(5) . . . . ?
C3_2 C4_2 C7_2 C1_2 49.3(4) . . . . ?
C5_2 C4_2 C7_2 C1_2 -58.2(4) . . . . ?
C2_2 C1_2 C7_2 C4_2 -49.1(4) . . . . ?
C6_2 C1_2 C7_2 C4_2 57.7(4) . . . . ?
C7_3 C1_3 C2_3 C3_3 31.9(5) . . . . ?
C6_3 C1_3 C2_3 C3_3 -73.2(5) . . . . ?
C7_3 C1_3 C2_3 Pt1 -45.8(5) . . . . ?
C6_3 C1_3 C2_3 Pt1 -150.9(4) . . . . ?
C1_3 C2_3 C3_3 C4_3 1.7(6) . . . . ?
Pt1 C2_3 C3_3 C4_3 113.6(4) . . . . ?
C1_3 C2_3 C3_3 Pt1 -111.9(4) . . . . ?
C2_3 C3_3 C4_3 C5_3 70.5(5) . . . . ?
Pt1 C3_3 C4_3 C5_3 147.3(4) . . . . ?
C2_3 C3_3 C4_3 C7_3 -34.0(6) . . . . ?
Pt1 C3_3 C4_3 C7_3 42.9(5) . . . . ?
C3_3 C4_3 C5_3 C6_3 -67.4(6) . . . . ?
C7_3 C4_3 C5_3 C6_3 36.8(6) . . . . ?
C4_3 C5_3 C6_3 C1_3 -1.3(7) . . . . ?
C2_3 C1_3 C6_3 C5_3 70.5(6) . . . . ?
C7_3 C1_3 C6_3 C5_3 -35.2(6) . . . . ?
C2_3 C1_3 C7_3 C4_3 -49.5(4) . . . . ?
C6_3 C1_3 C7_3 C4_3 56.5(5) . . . . ?
C3_3 C4_3 C7_3 C1_3 49.8(5) . . . . ?
C5_3 C4_3 C7_3 C1_3 -57.4(5) . . . . ?
C1_5 P1 C1_4 C2_4 -157.8(3) . . . . ?
C1_6 P1 C1_4 C2_4 90.0(4) . . . . ?
Au1 P1 C1_4 C2_4 -33.6(4) . . . . ?
C1_5 P1 C1_4 C6_4 23.4(4) . . . . ?
C1_6 P1 C1_4 C6_4 -88.8(3) . . . . ?
Au1 P1 C1_4 C6_4 147.6(3) . . . . ?
C6_4 C1_4 C2_4 C3_4 0.0(7) . . . . ?
P1 C1_4 C2_4 C3_4 -178.8(4) . . . . ?
C1_4 C2_4 C3_4 C4_4 1.6(8) . . . . ?
C2_4 C3_4 C4_4 C5_4 -1.7(7) . . . . ?
C3_4 C4_4 C5_4 C6_4 0.4(6) . . . . ?
C4_4 C5_4 C6_4 C1_4 1.2(6) . . . . ?
C2_4 C1_4 C6_4 C5_4 -1.3(6) . . . . ?
P1 C1_4 C6_4 C5_4 177.5(3) . . . . ?
C1_6 P1 C1_5 C6_5 13.3(4) . . . . ?
C1_4 P1 C1_5 C6_5 -99.6(4) . . . . ?
Au1 P1 C1_5 C6_5 138.7(3) . . . . ?
C1_6 P1 C1_5 C2_5 -171.4(3) . . . . ?
C1_4 P1 C1_5 C2_5 75.7(4) . . . . ?
Au1 P1 C1_5 C2_5 -46.0(4) . . . . ?
C6_5 C1_5 C2_5 C3_5 2.3(7) . . . . ?
P1 C1_5 C2_5 C3_5 -173.2(4) . . . . ?
C1_5 C2_5 C3_5 C4_5 -1.5(8) . . . . ?
C2_5 C3_5 C4_5 C5_5 -0.1(8) . . . . ?
C3_5 C4_5 C5_5 C6_5 0.9(7) . . . . ?
C4_5 C5_5 C6_5 C1_5 0.0(7) . . . . ?
C2_5 C1_5 C6_5 C5_5 -1.6(6) . . . . ?
P1 C1_5 C6_5 C5_5 173.8(3) . . . . ?
C1_5 P1 C1_6 C2_6 98.7(3) . . . . ?
C1_4 P1 C1_6 C2_6 -149.7(3) . . . . ?
Au1 P1 C1_6 C2_6 -27.6(4) . . . . ?
C1_5 P1 C1_6 C6_6 -76.3(4) . . . . ?
C1_4 P1 C1_6 C6_6 35.3(4) . . . . ?
Au1 P1 C1_6 C6_6 157.4(3) . . . . ?
C6_6 C1_6 C2_6 C3_6 -0.3(6) . . . . ?
P1 C1_6 C2_6 C3_6 -175.4(3) . . . . ?
C1_6 C2_6 C3_6 C4_6 1.3(7) . . . . ?
C2_6 C3_6 C4_6 C5_6 -1.2(7) . . . . ?
C3_6 C4_6 C5_6 C6_6 0.3(7) . . . . ?
C4_6 C5_6 C6_6 C1_6 0.7(6) . . . . ?
C2_6 C1_6 C6_6 C5_6 -0.6(6) . . . . ?
P1 C1_6 C6_6 C5_6 174.4(3) . . . . ?
C1_9 B1 C1_7 C2_7 92.3(4) . . . . ?
C1_8 B1 C1_7 C2_7 -28.6(4) . . . . ?
C1_10 B1 C1_7 C2_7 -145.1(3) . . . . ?
C1_9 B1 C1_7 C6_7 -82.0(4) . . . . ?
C1_8 B1 C1_7 C6_7 157.1(3) . . . . ?
C1_10 B1 C1_7 C6_7 40.5(4) . . . . ?
C6_7 C1_7 C2_7 C3_7 -1.9(5) . . . . ?
B1 C1_7 C2_7 C3_7 -176.6(3) . . . . ?
C1_7 C2_7 C3_7 C4_7 1.6(6) . . . . ?
C1_7 C2_7 C3_7 C2 -179.4(4) . . . . ?
F4 C2 C3_7 C4_7 -24.3(6) . . . . ?
F5 C2 C3_7 C4_7 -145.5(4) . . . . ?
F6 C2 C3_7 C4_7 96.3(5) . . . . ?
F4 C2 C3_7 C2_7 156.6(4) . . . . ?
F5 C2 C3_7 C2_7 35.4(5) . . . . ?
F6 C2 C3_7 C2_7 -82.7(5) . . . . ?
C2_7 C3_7 C4_7 C5_7 -0.3(6) . . . . ?
C2 C3_7 C4_7 C5_7 -179.3(4) . . . . ?
C3_7 C4_7 C5_7 C6_7 -0.5(6) . . . . ?
C3_7 C4_7 C5_7 C1 -179.1(4) . . . . ?
F2 C1 C5_7 C6_7 -109.5(5) . . . . ?
F3 C1 C5_7 C6_7 10.8(6) . . . . ?
F1 C1 C5_7 C6_7 129.2(5) . . . . ?
F2 C1 C5_7 C4_7 69.1(6) . . . . ?
F3 C1 C5_7 C4_7 -170.6(4) . . . . ?
F1 C1 C5_7 C4_7 -52.3(6) . . . . ?
C4_7 C5_7 C6_7 C1_7 0.1(6) . . . . ?
C1 C5_7 C6_7 C1_7 178.6(4) . . . . ?
C2_7 C1_7 C6_7 C5_7 1.1(5) . . . . ?
B1 C1_7 C6_7 C5_7 175.8(3) . . . . ?
C1_7 B1 C1_8 C2_8 149.2(3) . . . . ?
C1_9 B1 C1_8 C2_8 32.7(5) . . . . ?
C1_10 B1 C1_8 C2_8 -88.6(4) . . . . ?
C1_7 B1 C1_8 C6_8 -37.4(4) . . . . ?
C1_9 B1 C1_8 C6_8 -153.9(3) . . . . ?
C1_10 B1 C1_8 C6_8 84.8(4) . . . . ?
C6_8 C1_8 C2_8 C3_8 1.3(6) . . . . ?
B1 C1_8 C2_8 C3_8 175.1(4) . . . . ?
C1_8 C2_8 C3_8 C4_8 0.2(6) . . . . ?
C1_8 C2_8 C3_8 C4A 174.9(8) . . . . ?
C1_8 C2_8 C3_8 C4B -176.5(8) . . . . ?
F1B C4A C3_8 C4_8 -173.0(15) . . . . ?
F2B C4A C3_8 C4_8 65.5(15) . . . . ?
F3B C4A C3_8 C4_8 -54.4(18) . . . . ?
F1B C4A C3_8 C2_8 12.2(17) . . . . ?
F2B C4A C3_8 C2_8 -109.3(13) . . . . ?
F3B C4A C3_8 C2_8 130.8(15) . . . . ?
F5B C4B C3_8 C4_8 -143.0(13) . . . . ?
F6B C4B C3_8 C4_8 96.3(15) . . . . ?
F4B C4B C3_8 C4_8 -20.3(18) . . . . ?
F5B C4B C3_8 C2_8 33.9(14) . . . . ?
F6B C4B C3_8 C2_8 -86.9(14) . . . . ?
F4B C4B C3_8 C2_8 156.5(13) . . . . ?
C2_8 C3_8 C4_8 C5_8 -1.0(7) . . . . ?
C4A C3_8 C4_8 C5_8 -175.8(7) . . . . ?
C4B C3_8 C4_8 C5_8 175.8(8) . . . . ?
C3_8 C4_8 C5_8 C6_8 0.0(6) . . . . ?
C3_8 C4_8 C5_8 C3 -178.9(4) . . . . ?
F8 C3 C5_8 C4_8 -10.3(6) . . . . ?
F7 C3 C5_8 C4_8 -131.2(4) . . . . ?
F9 C3 C5_8 C4_8 110.7(5) . . . . ?
F8 C3 C5_8 C6_8 170.8(4) . . . . ?
F7 C3 C5_8 C6_8 49.9(5) . . . . ?
F9 C3 C5_8 C6_8 -68.1(5) . . . . ?
C4_8 C5_8 C6_8 C1_8 1.7(6) . . . . ?
C3 C5_8 C6_8 C1_8 -179.4(4) . . . . ?
C2_8 C1_8 C6_8 C5_8 -2.3(5) . . . . ?
B1 C1_8 C6_8 C5_8 -176.1(3) . . . . ?
C1_7 B1 C1_9 C6_9 -82.3(4) . . . . ?
C1_8 B1 C1_9 C6_9 39.2(4) . . . . ?
C1_10 B1 C1_9 C6_9 154.9(3) . . . . ?
C1_7 B1 C1_9 C2_9 90.5(4) . . . . ?
C1_8 B1 C1_9 C2_9 -148.0(3) . . . . ?
C1_10 B1 C1_9 C2_9 -32.3(5) . . . . ?
C6_9 C1_9 C2_9 C3_9 -0.5(5) . . . . ?
B1 C1_9 C2_9 C3_9 -173.6(3) . . . . ?
C1_9 C2_9 C3_9 C4_9 0.1(6) . . . . ?
C1_9 C2_9 C3_9 C6 177.0(3) . . . . ?
F4A C6 C3_9 C4_9 -71.6(15) . . . . ?
F9A C6 C3_9 C4_9 -7.4(12) . . . . ?
F3A C6 C3_9 C4_9 79.5(6) . . . . ?
F2A C6 C3_9 C4_9 -155.5(5) . . . . ?
F7A C6 C3_9 C4_9 -131.4(9) . . . . ?
F5A C6 C3_9 C4_9 157.1(13) . . . . ?
F8A C6 C3_9 C4_9 116.7(9) . . . . ?
F1A C6 C3_9 C4_9 -38.5(5) . . . . ?
F6A C6 C3_9 C4_9 47.4(11) . . . . ?
F4A C6 C3_9 C2_9 111.3(15) . . . . ?
F9A C6 C3_9 C2_9 175.5(11) . . . . ?
F3A C6 C3_9 C2_9 -97.6(6) . . . . ?
F2A C6 C3_9 C2_9 27.5(6) . . . . ?
F7A C6 C3_9 C2_9 51.5(9) . . . . ?
F5A C6 C3_9 C2_9 -20.0(13) . . . . ?
F8A C6 C3_9 C2_9 -60.4(10) . . . . ?
F1A C6 C3_9 C2_9 144.4(4) . . . . ?
F6A C6 C3_9 C2_9 -129.6(11) . . . . ?
C2_9 C3_9 C4_9 C5_9 0.1(6) . . . . ?
C6 C3_9 C4_9 C5_9 -176.9(3) . . . . ?
C3_9 C4_9 C5_9 C6_9 0.1(6) . . . . ?
C3_9 C4_9 C5_9 C5 179.8(4) . . . . ?
F14 C5 C5_9 C6_9 -46.4(5) . . . . ?
F13 C5 C5_9 C6_9 73.0(5) . . . . ?
F15 C5 C5_9 C6_9 -167.5(4) . . . . ?
F14 C5 C5_9 C4_9 133.9(4) . . . . ?
F13 C5 C5_9 C4_9 -106.7(4) . . . . ?
F15 C5 C5_9 C4_9 12.8(6) . . . . ?
C4_9 C5_9 C6_9 C1_9 -0.6(6) . . . . ?
C5 C5_9 C6_9 C1_9 179.7(3) . . . . ?
C2_9 C1_9 C6_9 C5_9 0.7(5) . . . . ?
B1 C1_9 C6_9 C5_9 174.0(3) . . . . ?
C1_7 B1 C1_10 C6_10 -159.4(3) . . . . ?
C1_9 B1 C1_10 C6_10 -41.7(4) . . . . ?
C1_8 B1 C1_10 C6_10 78.8(4) . . . . ?
C1_7 B1 C1_10 C2_10 29.2(4) . . . . ?
C1_9 B1 C1_10 C2_10 146.9(3) . . . . ?
C1_8 B1 C1_10 C2_10 -92.5(4) . . . . ?
C6_10 C1_10 C2_10 C3_10 1.2(5) . . . . ?
B1 C1_10 C2_10 C3_10 173.0(3) . . . . ?
C1_10 C2_10 C3_10 C4_10 -0.8(6) . . . . ?
C1_10 C2_10 C3_10 C8 -179.2(3) . . . . ?
F22 C8 C3_10 C4_10 146.7(4) . . . . ?
F24 C8 C3_10 C4_10 24.0(6) . . . . ?
F23 C8 C3_10 C4_10 -94.2(5) . . . . ?
F22 C8 C3_10 C2_10 -34.9(6) . . . . ?
F24 C8 C3_10 C2_10 -157.6(4) . . . . ?
F23 C8 C3_10 C2_10 84.2(5) . . . . ?
C2_10 C3_10 C4_10 C5_10 -0.4(6) . . . . ?
C8 C3_10 C4_10 C5_10 178.0(4) . . . . ?
C3_10 C4_10 C5_10 C6_10 1.2(6) . . . . ?
C3_10 C4_10 C5_10 C7 -176.2(4) . . . . ?
F19 C7 C5_10 C4_10 63.0(5) . . . . ?
F20 C7 C5_10 C4_10 -56.8(5) . . . . ?
F21 C7 C5_10 C4_10 -178.0(4) . . . . ?
F19 C7 C5_10 C6_10 -114.3(4) . . . . ?
F20 C7 C5_10 C6_10 125.8(4) . . . . ?
F21 C7 C5_10 C6_10 4.6(6) . . . . ?
C4_10 C5_10 C6_10 C1_10 -0.8(6) . . . . ?
C7 C5_10 C6_10 C1_10 176.5(3) . . . . ?
C2_10 C1_10 C6_10 C5_10 -0.4(5) . . . . ?
B1 C1_10 C6_10 C5_10 -172.3(3) . . . . ?

