# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1828452'
_audit_update_record             
;
2018-03-08 deposited with the CCDC.
2018-05-17 downloaded from the CCDC.
;

#Regarding CheckCif alerts:

#Alert Level A:
#This alert is probably due to a Fourier series 
#truncation error as the residual electron density
#is < 1 A from the Pt atom. In addition, the Pt 
#atom lies on a crystallographic inversion centre.

#Alert Level B: 
#These two alerts are probably due to Fourier series 
#truncation errors as the residual electron density 
#is < 1 A from the Pt atom. In addition, the Pt atom
#lies on a crystallographic inversion centre.

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H82 B2 F4 N8 P2 Pt'
_chemical_formula_weight         1342.04
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'
N N 0.0061 0.0033 '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'

_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                   10.503(3)
_cell_length_b                   11.094(4)
_cell_length_c                   14.692(5)
_cell_angle_alpha                106.564(16)
_cell_angle_beta                 90.122(12)
_cell_angle_gamma                95.097(16)
_cell_volume                     1633.7(10)
_cell_formula_units_Z            1
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9978
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      35.15
_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_F_000             688
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.232
_exptl_crystal_size_mid          0.197
_exptl_crystal_size_min          0.057
_exptl_absorpt_coefficient_mu    2.253
_shelx_estimated_absorpt_T_min   0.623
_shelx_estimated_absorpt_T_max   0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6627
_exptl_absorpt_correction_T_max  0.7482
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            64788
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.393
_diffrn_reflns_theta_max         41.581
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.887
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.887
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.887
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             19782
_reflns_number_gt                16988
_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       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SHELXT
_computing_structure_refinement  SHELXL
_computing_molecular_graphics    Mercury
_computing_publication_material  cif2tables.py
_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)+(0.0302P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19782
_refine_ls_number_parameters     376
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.0676
_refine_ls_wR_factor_gt          0.0642
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.000000 0.500000 0.500000 0.01314(2) Uani 1 2 d S . P . .
P1 P 0.88348(3) 0.51025(4) 0.36991(3) 0.01622(7) Uani 1 1 d . . . . .
F1 F 0.26181(8) 0.43569(8) 0.87490(7) 0.01993(18) Uani 1 1 d . . . . .
F2 F 0.32917(8) 0.36368(9) 0.99637(6) 0.02104(18) Uani 1 1 d . . . . .
N1 N 0.17541(10) 0.22809(12) 0.88259(8) 0.0148(2) Uani 1 1 d . . . . .
N2 N 0.19572(11) 0.11373(12) 0.88460(9) 0.0156(2) Uani 1 1 d . . . . .
N3 N 0.39107(10) 0.25896(11) 0.83744(8) 0.0130(2) Uani 1 1 d . . . . .
N4 N 0.40903(10) 0.14377(11) 0.83838(8) 0.0143(2) Uani 1 1 d . . . . .
B1 B 0.28932(14) 0.33237(16) 0.90213(11) 0.0149(3) Uani 1 1 d . . . . .
C1 C 0.31660(12) 0.08284(13) 0.87691(10) 0.0143(2) Uani 1 1 d . . . . .
C2 C 0.04564(12) 0.24327(15) 0.86192(10) 0.0168(3) Uani 1 1 d . . . . .
C3 C -0.00184(14) 0.35930(16) 0.89938(11) 0.0207(3) Uani 1 1 d . . . . .
H3 H 0.051998 0.429444 0.936631 0.025 Uiso 1 1 calc R U . . .
C4 C -0.12997(14) 0.37161(18) 0.88159(12) 0.0259(3) Uani 1 1 d . . . . .
H4 H -0.163719 0.450698 0.906579 0.031 Uiso 1 1 calc R U . . .
C5 C -0.20784(15) 0.26884(19) 0.82764(13) 0.0296(4) Uani 1 1 d . . . . .
H5 H -0.295367 0.277357 0.816865 0.035 Uiso 1 1 calc R U . . .
C6 C -0.15954(15) 0.1543(2) 0.78942(13) 0.0296(4) Uani 1 1 d . . . . .
H6 H -0.213683 0.084475 0.752076 0.035 Uiso 1 1 calc R U . . .
C7 C -0.03133(14) 0.14043(17) 0.80536(12) 0.0237(3) Uani 1 1 d . . . . .
H7 H 0.002859 0.062092 0.778068 0.028 Uiso 1 1 calc R U . . .
C8 C 0.46995(12) 0.30650(14) 0.77442(9) 0.0134(2) Uani 1 1 d . . . . .
C9 C 0.51961(12) 0.43261(14) 0.80220(10) 0.0157(2) Uani 1 1 d . . . . .
H9 H 0.492685 0.488890 0.859048 0.019 Uiso 1 1 calc R U . . .
C10 C 0.60876(13) 0.47543(14) 0.74616(10) 0.0166(3) Uani 1 1 d . . . . .
H10 H 0.642875 0.561367 0.765250 0.020 Uiso 1 1 calc R U . . .
C11 C 0.64925(13) 0.39378(14) 0.66179(10) 0.0162(3) Uani 1 1 d . . . . .
C12 C 0.59243(14) 0.26912(15) 0.63301(10) 0.0195(3) Uani 1 1 d . . . . .
H12 H 0.615161 0.213784 0.574314 0.023 Uiso 1 1 calc R U . . .
C13 C 0.50380(13) 0.22508(14) 0.68848(10) 0.0172(3) Uani 1 1 d . . . . .
H13 H 0.466440 0.140249 0.668191 0.021 Uiso 1 1 calc R U . . .
C14 C 0.34384(13) -0.03594(13) 0.89659(9) 0.0144(2) Uani 1 1 d . . . . .
C15 C 0.24622(14) -0.10797(14) 0.92711(10) 0.0176(3) Uani 1 1 d . . . . .
H15 H 0.162108 -0.081982 0.932881 0.021 Uiso 1 1 calc R U . . .
C16 C 0.27157(16) -0.21746(15) 0.94908(11) 0.0222(3) Uani 1 1 d . . . . .
H16 H 0.204768 -0.266051 0.969779 0.027 Uiso 1 1 calc R U . . .
C17 C 0.39409(17) -0.25595(15) 0.94087(11) 0.0234(3) Uani 1 1 d . . . . .
H17 H 0.411466 -0.330423 0.956440 0.028 Uiso 1 1 calc R U . . .
C18 C 0.49116(15) -0.18551(15) 0.90990(11) 0.0214(3) Uani 1 1 d . . . . .
H18 H 0.574807 -0.212644 0.903380 0.026 Uiso 1 1 calc R U . . .
C19 C 0.46705(14) -0.07556(14) 0.88832(10) 0.0174(3) Uani 1 1 d . . . . .
H19 H 0.534347 -0.027205 0.867917 0.021 Uiso 1 1 calc R U . . .
C20 C 0.75108(13) 0.43353(15) 0.60908(10) 0.0186(3) Uani 1 1 d . . . . .
C21 C 0.84373(13) 0.45960(15) 0.56633(10) 0.0173(3) Uani 1 1 d . . . . .
C22 C 0.71339(14) 0.45755(16) 0.36431(12) 0.0224(3) Uani 1 1 d . . . . .
H22A H 0.674261 0.506400 0.422963 0.027 Uiso 1 1 calc R U . . .
H22B H 0.673236 0.477858 0.310123 0.027 Uiso 1 1 calc R U . . .
C23 C 0.68143(15) 0.31696(16) 0.35337(12) 0.0237(3) Uani 1 1 d . . . . .
H23A H 0.699890 0.267763 0.287940 0.028 Uiso 1 1 calc R U . . .
H23B H 0.736646 0.291065 0.397811 0.028 Uiso 1 1 calc R U . . .
C24 C 0.54164(17) 0.28671(19) 0.37321(14) 0.0335(4) Uani 1 1 d . . . . .
H24A H 0.523119 0.338091 0.438010 0.040 Uiso 1 1 calc R U . . .
H24B H 0.486962 0.311427 0.327838 0.040 Uiso 1 1 calc R U . . .
C25 C 0.5065(2) 0.1483(2) 0.36535(14) 0.0410(5) Uani 1 1 d . . . . .
H25A H 0.415840 0.135341 0.378883 0.061 Uiso 1 1 calc R U . . .
H25B H 0.522469 0.096718 0.300906 0.061 Uiso 1 1 calc R U . . .
H25C H 0.558662 0.123408 0.411187 0.061 Uiso 1 1 calc R U . . .
C26 C 0.94818(15) 0.43156(16) 0.25526(11) 0.0221(3) Uani 1 1 d . . . . .
H26A H 0.879713 0.419441 0.206201 0.027 Uiso 1 1 calc R U . . .
H26B H 1.017393 0.489926 0.241520 0.027 Uiso 1 1 calc R U . . .
C27 C 1.00092(15) 0.30521(16) 0.24289(11) 0.0220(3) Uani 1 1 d . . . . .
H27A H 0.929374 0.239297 0.238792 0.026 Uiso 1 1 calc R U . . .
H27B H 1.055713 0.309655 0.298884 0.026 Uiso 1 1 calc R U . . .
C28 C 1.07926(15) 0.26936(16) 0.15285(12) 0.0249(3) Uani 1 1 d . . . . .
H28A H 1.023039 0.262819 0.097149 0.030 Uiso 1 1 calc R U . . .
H28B H 1.147935 0.337790 0.156237 0.030 Uiso 1 1 calc R U . . .
C29 C 1.1386(2) 0.1470(2) 0.13814(15) 0.0398(5) Uani 1 1 d . . . . .
H29A H 1.187084 0.129842 0.079624 0.060 Uiso 1 1 calc R U . . .
H29B H 1.196219 0.153313 0.192185 0.060 Uiso 1 1 calc R U . . .
H29C H 1.071195 0.078264 0.133036 0.060 Uiso 1 1 calc R U . . .
C30 C 0.88705(15) 0.67122(16) 0.35978(11) 0.0221(3) Uani 1 1 d . . . . .
H30A H 0.977280 0.702262 0.354526 0.027 Uiso 1 1 calc R U . . .
H30B H 0.841696 0.667626 0.299789 0.027 Uiso 1 1 calc R U . . .
C31 C 0.82873(16) 0.76772(17) 0.44047(12) 0.0266(3) Uani 1 1 d . . . . .
H31A H 0.873044 0.773026 0.501225 0.032 Uiso 1 1 calc R U . . .
H31B H 0.737415 0.739995 0.445380 0.032 Uiso 1 1 calc R U . . .
C32 C 0.84031(18) 0.89817(17) 0.42350(14) 0.0321(4) Uani 1 1 d . . . . .
H32A H 0.931852 0.924881 0.418436 0.038 Uiso 1 1 calc R U . . .
H32B H 0.796925 0.891601 0.362158 0.038 Uiso 1 1 calc R U . . .
C33 C 0.7832(2) 0.9989(2) 0.50132(18) 0.0480(6) Uani 1 1 d . . . . .
H33A H 0.793662 1.079660 0.486220 0.072 Uiso 1 1 calc R U . . .
H33B H 0.691948 0.974308 0.505789 0.072 Uiso 1 1 calc R U . . .
H33C H 0.827003 1.007620 0.562120 0.072 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C21 1.9924(14) . ?
Pt1 C21 1.9924(14) 2_766 ?
Pt1 P1 2.3026(7) 2_766 ?
Pt1 P1 2.3026(7) . ?
P1 C22 1.8238(16) . ?
P1 C26 1.8256(16) . ?
P1 C30 1.8310(18) . ?
F1 B1 1.3703(19) . ?
F2 B1 1.3820(19) . ?
N1 N2 1.3137(18) . ?
N1 C2 1.4305(18) . ?
N1 B1 1.554(2) . ?
N2 C1 1.3409(18) . ?
N3 N4 1.3122(17) . ?
N3 C8 1.4234(16) . ?
N3 B1 1.5576(19) . ?
N4 C1 1.3504(17) . ?
C1 C14 1.478(2) . ?
C2 C3 1.386(2) . ?
C2 C7 1.392(2) . ?
C3 C4 1.396(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.396(2) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.393(2) . ?
C8 C13 1.395(2) . ?
C9 C10 1.3882(18) . ?
C9 H9 0.9500 . ?
C10 C11 1.403(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.402(2) . ?
C11 C20 1.4326(18) . ?
C12 C13 1.3853(19) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.3970(19) . ?
C14 C19 1.398(2) . ?
C15 C16 1.390(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.386(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.2170(19) . ?
C22 C23 1.528(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.524(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.519(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.516(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.532(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.503(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.524(2) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.532(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.520(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?

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
C21 Pt1 C21 180.0 . 2_766 ?
C21 Pt1 P1 87.29(5) . 2_766 ?
C21 Pt1 P1 92.71(5) 2_766 2_766 ?
C21 Pt1 P1 92.71(5) . . ?
C21 Pt1 P1 87.29(5) 2_766 . ?
P1 Pt1 P1 180.0 2_766 . ?
C22 P1 C26 107.04(8) . . ?
C22 P1 C30 103.81(8) . . ?
C26 P1 C30 99.77(8) . . ?
C22 P1 Pt1 117.03(5) . . ?
C26 P1 Pt1 114.81(6) . . ?
C30 P1 Pt1 112.49(6) . . ?
N2 N1 C2 114.56(11) . . ?
N2 N1 B1 119.24(11) . . ?
C2 N1 B1 126.20(12) . . ?
N1 N2 C1 117.52(11) . . ?
N4 N3 C8 114.83(11) . . ?
N4 N3 B1 119.99(11) . . ?
C8 N3 B1 125.18(11) . . ?
N3 N4 C1 116.78(11) . . ?
F1 B1 F2 112.41(13) . . ?
F1 B1 N1 112.43(12) . . ?
F2 B1 N1 109.91(11) . . ?
F1 B1 N3 111.26(11) . . ?
F2 B1 N3 110.13(12) . . ?
N1 B1 N3 100.04(12) . . ?
N2 C1 N4 123.01(12) . . ?
N2 C1 C14 117.80(12) . . ?
N4 C1 C14 118.38(12) . . ?
C3 C2 C7 121.11(14) . . ?
C3 C2 N1 119.60(14) . . ?
C7 C2 N1 119.29(14) . . ?
C2 C3 C4 119.03(16) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 120.11(17) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C6 C5 C4 120.55(15) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 120.23(17) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C2 C7 C6 118.93(17) . . ?
C2 C7 H7 120.5 . . ?
C6 C7 H7 120.5 . . ?
C9 C8 C13 120.51(12) . . ?
C9 C8 N3 119.40(12) . . ?
C13 C8 N3 119.95(13) . . ?
C10 C9 C8 119.49(13) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 121.04(14) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 118.15(12) . . ?
C12 C11 C20 120.45(13) . . ?
C10 C11 C20 121.30(14) . . ?
C13 C12 C11 121.29(14) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C8 119.35(14) . . ?
C12 C13 H13 120.3 . . ?
C8 C13 H13 120.3 . . ?
C15 C14 C19 119.15(13) . . ?
C15 C14 C1 119.74(13) . . ?
C19 C14 C1 121.08(12) . . ?
C16 C15 C14 120.32(14) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 120.17(14) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C17 C16 119.82(14) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.47(14) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C18 C19 C14 120.06(13) . . ?
C18 C19 H19 120.0 . . ?
C14 C19 H19 120.0 . . ?
C21 C20 C11 174.28(16) . . ?
C20 C21 Pt1 177.62(13) . . ?
C23 C22 P1 115.41(11) . . ?
C23 C22 H22A 108.4 . . ?
P1 C22 H22A 108.4 . . ?
C23 C22 H22B 108.4 . . ?
P1 C22 H22B 108.4 . . ?
H22A C22 H22B 107.5 . . ?
C24 C23 C22 111.94(15) . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C25 C24 C23 113.64(17) . . ?
C25 C24 H24A 108.8 . . ?
C23 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
C23 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P1 118.43(11) . . ?
C27 C26 H26A 107.7 . . ?
P1 C26 H26A 107.7 . . ?
C27 C26 H26B 107.7 . . ?
P1 C26 H26B 107.7 . . ?
H26A C26 H26B 107.1 . . ?
C26 C27 C28 110.89(13) . . ?
C26 C27 H27A 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 108.0 . . ?
C29 C28 C27 113.69(14) . . ?
C29 C28 H28A 108.8 . . ?
C27 C28 H28A 108.8 . . ?
C29 C28 H28B 108.8 . . ?
C27 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 P1 116.56(11) . . ?
C31 C30 H30A 108.2 . . ?
P1 C30 H30A 108.2 . . ?
C31 C30 H30B 108.2 . . ?
P1 C30 H30B 108.2 . . ?
H30A C30 H30B 107.3 . . ?
C30 C31 C32 110.90(14) . . ?
C30 C31 H31A 109.5 . . ?
C32 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 108.0 . . ?
C33 C32 C31 113.58(16) . . ?
C33 C32 H32A 108.8 . . ?
C31 C32 H32A 108.8 . . ?
C33 C32 H32B 108.8 . . ?
C31 C32 H32B 108.8 . . ?
H32A C32 H32B 107.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?

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
C2 N1 N2 C1 161.78(12) . . . . ?
B1 N1 N2 C1 -18.29(18) . . . . ?
C8 N3 N4 C1 -163.40(12) . . . . ?
B1 N3 N4 C1 16.51(18) . . . . ?
N2 N1 B1 F1 164.78(12) . . . . ?
C2 N1 B1 F1 -15.30(19) . . . . ?
N2 N1 B1 F2 -69.19(16) . . . . ?
C2 N1 B1 F2 110.73(15) . . . . ?
N2 N1 B1 N3 46.66(15) . . . . ?
C2 N1 B1 N3 -133.43(13) . . . . ?
N4 N3 B1 F1 -164.91(12) . . . . ?
C8 N3 B1 F1 14.99(19) . . . . ?
N4 N3 B1 F2 69.76(16) . . . . ?
C8 N3 B1 F2 -110.35(14) . . . . ?
N4 N3 B1 N1 -45.92(15) . . . . ?
C8 N3 B1 N1 133.98(13) . . . . ?
N1 N2 C1 N4 -21.5(2) . . . . ?
N1 N2 C1 C14 169.03(12) . . . . ?
N3 N4 C1 N2 22.4(2) . . . . ?
N3 N4 C1 C14 -168.19(12) . . . . ?
N2 N1 C2 C3 149.65(13) . . . . ?
B1 N1 C2 C3 -30.26(19) . . . . ?
N2 N1 C2 C7 -29.53(18) . . . . ?
B1 N1 C2 C7 150.55(14) . . . . ?
C7 C2 C3 C4 1.5(2) . . . . ?
N1 C2 C3 C4 -177.64(12) . . . . ?
C2 C3 C4 C5 0.3(2) . . . . ?
C3 C4 C5 C6 -1.3(2) . . . . ?
C4 C5 C6 C7 0.5(3) . . . . ?
C3 C2 C7 C6 -2.3(2) . . . . ?
N1 C2 C7 C6 176.85(13) . . . . ?
C5 C6 C7 C2 1.3(2) . . . . ?
N4 N3 C8 C9 -141.34(13) . . . . ?
B1 N3 C8 C9 38.76(19) . . . . ?
N4 N3 C8 C13 34.40(18) . . . . ?
B1 N3 C8 C13 -145.50(14) . . . . ?
C13 C8 C9 C10 -3.5(2) . . . . ?
N3 C8 C9 C10 172.21(12) . . . . ?
C8 C9 C10 C11 0.3(2) . . . . ?
C9 C10 C11 C12 3.2(2) . . . . ?
C9 C10 C11 C20 -173.11(13) . . . . ?
C10 C11 C12 C13 -3.5(2) . . . . ?
C20 C11 C12 C13 172.85(14) . . . . ?
C11 C12 C13 C8 0.3(2) . . . . ?
C9 C8 C13 C12 3.2(2) . . . . ?
N3 C8 C13 C12 -172.47(13) . . . . ?
N2 C1 C14 C15 -3.4(2) . . . . ?
N4 C1 C14 C15 -173.38(13) . . . . ?
N2 C1 C14 C19 178.80(13) . . . . ?
N4 C1 C14 C19 8.8(2) . . . . ?
C19 C14 C15 C16 0.1(2) . . . . ?
C1 C14 C15 C16 -177.72(14) . . . . ?
C14 C15 C16 C17 0.0(2) . . . . ?
C15 C16 C17 C18 -0.5(2) . . . . ?
C16 C17 C18 C19 0.9(2) . . . . ?
C17 C18 C19 C14 -0.8(2) . . . . ?
C15 C14 C19 C18 0.3(2) . . . . ?
C1 C14 C19 C18 178.08(14) . . . . ?
C26 P1 C22 C23 64.61(13) . . . . ?
C30 P1 C22 C23 169.56(12) . . . . ?
Pt1 P1 C22 C23 -65.85(13) . . . . ?
P1 C22 C23 C24 166.15(12) . . . . ?
C22 C23 C24 C25 -178.66(15) . . . . ?
C22 P1 C26 C27 -90.66(14) . . . . ?
C30 P1 C26 C27 161.52(13) . . . . ?
Pt1 P1 C26 C27 41.04(14) . . . . ?
P1 C26 C27 C28 -166.22(11) . . . . ?
C26 C27 C28 C29 177.85(15) . . . . ?
C22 P1 C30 C31 64.68(14) . . . . ?
C26 P1 C30 C31 175.07(13) . . . . ?
Pt1 P1 C30 C31 -62.78(13) . . . . ?
P1 C30 C31 C32 179.06(12) . . . . ?
C30 C31 C32 C33 179.67(17) . . . . ?

_refine_diff_density_max         2.844
_refine_diff_density_min         -3.038
_refine_diff_density_rms         0.143

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'
