# Electronic Supplementary Material (ESI) for ChemComm.
# 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_Bi-Pt-Ph
_database_code_depnum_ccdc_archive 'CCDC 1991384'
loop_
_audit_author_name
_audit_author_address
'Shigeru Shimada'
;National Institute of Advanced Industrial Science and Technology (AIST)
Japan
;
_audit_update_record             
;
2020-03-19 deposited with the CCDC.	2020-11-16 downloaded from the CCDC.
;
_audit_creation_date             2019-08-29
_audit_creation_method           'by CrystalStructure 4.3'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C36 H56 Bi N P2 Pt'
_chemical_formula_moiety         'C36 H56 Bi N P2 Pt'
_chemical_formula_weight         968.86
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   18.0184(6)
_cell_length_b                   12.0638(4)
_cell_length_c                   19.2753(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 115.9600(3)
_cell_angle_gamma                90.0000
_cell_volume                     3767.1(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9947
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      28.41
_cell_measurement_temperature    153(2)
#------------------------------------------------------------------------------
_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1880.00
_exptl_absorpt_coefficient_mu    8.459
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.344
_exptl_absorpt_correction_T_max  0.588
_exptl_absorpt_process_details   
;
SADABS; Sheldrick 1996
;

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_reflns_number            20992
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.057
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             8526
_reflns_number_gt                7380
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0182
_refine_ls_wR_factor_ref         0.0364
_refine_ls_wR_factor_gt          0.0352
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         8526
_refine_ls_number_parameters     370
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0100P)²+1.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.87
_refine_diff_density_min         -0.77
_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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Bi Bi -4.1077 10.2566
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Bi1 Bi 0.22594(2) 0.05537(2) 0.18128(2) 0.02246(3) Uani 1 1 d . . . . .
Pt1 Pt 0.18675(2) 0.19380(2) 0.05603(2) 0.01968(3) Uani 1 1 d . . . . .
P1 P 0.10015(4) 0.29653(6) -0.05116(4) 0.02244(15) Uani 1 1 d . . . . .
P2 P 0.29114(5) 0.15278(6) 0.02132(4) 0.02639(16) Uani 1 1 d . . . . .
N1 N 0.33252(14) -0.09690(19) 0.31181(12) 0.0265(5) Uani 1 1 d . . . . .
C1 C 0.27011(17) -0.0991(2) 0.14212(15) 0.0241(6) Uani 1 1 d . . . . .
C2 C 0.22413(18) -0.1318(2) 0.06615(16) 0.0302(7) Uani 1 1 d . . . . .
H2 H 0.180662 -0.085419 0.032491 0.036 Uiso 1 1 calc R U . . .
C3 C 0.2399(2) -0.2306(3) 0.03791(17) 0.0393(8) Uani 1 1 d . . . . .
H3 H 0.206893 -0.251923 -0.014064 0.047 Uiso 1 1 calc R U . . .
C4 C 0.3037(2) -0.2969(3) 0.08571(19) 0.0416(8) Uani 1 1 d . . . . .
H4 H 0.316023 -0.363326 0.066442 0.050 Uiso 1 1 calc R U . . .
C5 C 0.34988(19) -0.2670(2) 0.16196(17) 0.0343(7) Uani 1 1 d . . . . .
H5 H 0.393685 -0.313519 0.194952 0.041 Uiso 1 1 calc R U . . .
C6 C 0.33285(17) -0.1694(2) 0.19089(15) 0.0261(6) Uani 1 1 d . . . . .
C7 C 0.38278(17) -0.1407(2) 0.27538(15) 0.0283(6) Uani 1 1 d . . . . .
H7A H 0.411875 -0.208092 0.303499 0.034 Uiso 1 1 calc R U . . .
H7B H 0.425092 -0.085070 0.280079 0.034 Uiso 1 1 calc R U . . .
C8 C 0.3794(2) -0.0156(3) 0.37097(16) 0.0373(7) Uani 1 1 d . . . . .
H8A H 0.432612 -0.049236 0.406601 0.045 Uiso 1 1 calc R U . . .
H8B H 0.348419 0.001663 0.401265 0.045 Uiso 1 1 calc R U . . .
C9 C 0.39677(18) 0.0922(2) 0.33988(16) 0.0307(7) Uani 1 1 d . . . . .
C10 C 0.46487(19) 0.1534(3) 0.39034(17) 0.0394(8) Uani 1 1 d . . . . .
H10 H 0.499828 0.123274 0.439431 0.047 Uiso 1 1 calc R U . . .
C11 C 0.4825(2) 0.2564(3) 0.37057(19) 0.0436(8) Uani 1 1 d . . . . .
H11 H 0.528705 0.297169 0.405924 0.052 Uiso 1 1 calc R U . . .
C12 C 0.4326(2) 0.2998(3) 0.29919(18) 0.0409(8) Uani 1 1 d . . . . .
H12 H 0.443968 0.371023 0.285145 0.049 Uiso 1 1 calc R U . . .
C13 C 0.36565(18) 0.2391(2) 0.24772(17) 0.0324(7) Uani 1 1 d . . . . .
H13 H 0.332075 0.269449 0.198319 0.039 Uiso 1 1 calc R U . . .
C14 C 0.34629(17) 0.1349(2) 0.26651(15) 0.0267(6) Uani 1 1 d . . . . .
C15 C 0.29073(18) -0.1812(3) 0.33954(16) 0.0329(7) Uani 1 1 d . . . . .
C16 C 0.2435(2) -0.2644(3) 0.27541(19) 0.0503(9) Uani 1 1 d . . . . .
H16A H 0.216477 -0.319094 0.294247 0.060 Uiso 1 1 calc R U . . .
H16B H 0.201793 -0.225191 0.230907 0.060 Uiso 1 1 calc R U . . .
H16C H 0.282123 -0.302156 0.259981 0.060 Uiso 1 1 calc R U . . .
C17 C 0.3510(2) -0.2458(3) 0.41053(17) 0.0435(8) Uani 1 1 d . . . . .
H17A H 0.320227 -0.299495 0.425988 0.052 Uiso 1 1 calc R U . . .
H17B H 0.391077 -0.284965 0.397844 0.052 Uiso 1 1 calc R U . . .
H17C H 0.380065 -0.194028 0.453072 0.052 Uiso 1 1 calc R U . . .
C18 C 0.2267(2) -0.1225(3) 0.3583(2) 0.0541(10) Uani 1 1 d . . . . .
H18A H 0.198859 -0.176875 0.376555 0.065 Uiso 1 1 calc R U . . .
H18B H 0.254167 -0.066964 0.398597 0.065 Uiso 1 1 calc R U . . .
H18C H 0.185976 -0.085945 0.311809 0.065 Uiso 1 1 calc R U . . .
C19 C 0.10635(16) 0.2370(2) 0.10164(15) 0.0241(6) Uani 1 1 d . . . . .
C20 C 0.03095(17) 0.1840(2) 0.08489(15) 0.0280(6) Uani 1 1 d . . . . .
H20 H 0.014853 0.123105 0.050179 0.034 Uiso 1 1 calc R U . . .
C21 C -0.02079(18) 0.2171(3) 0.11700(17) 0.0351(7) Uani 1 1 d . . . . .
H21 H -0.071486 0.179385 0.103684 0.042 Uiso 1 1 calc R U . . .
C22 C 0.0008(2) 0.3047(3) 0.16825(17) 0.0385(8) Uani 1 1 d . . . . .
H22 H -0.034857 0.328039 0.189930 0.046 Uiso 1 1 calc R U . . .
C23 C 0.0752(2) 0.3579(2) 0.18751(16) 0.0342(7) Uani 1 1 d . . . . .
H23 H 0.091181 0.417524 0.223271 0.041 Uiso 1 1 calc R U . . .
C24 C 0.12643(18) 0.3246(2) 0.15498(15) 0.0275(6) Uani 1 1 d . . . . .
H24 H 0.177248 0.362525 0.169234 0.033 Uiso 1 1 calc R U . . .
C25 C 0.00223(18) 0.2229(2) -0.10185(16) 0.0343(7) Uani 1 1 d . . . . .
H25A H -0.026001 0.219418 -0.067911 0.041 Uiso 1 1 calc R U . . .
H25B H -0.033433 0.265786 -0.148390 0.041 Uiso 1 1 calc R U . . .
C26 C 0.0117(2) 0.1057(3) -0.12612(19) 0.0486(9) Uani 1 1 d . . . . .
H26A H -0.042845 0.071269 -0.152818 0.058 Uiso 1 1 calc R U . . .
H26B H 0.038305 0.108370 -0.160869 0.058 Uiso 1 1 calc R U . . .
H26C H 0.045744 0.061950 -0.080300 0.058 Uiso 1 1 calc R U . . .
C27 C 0.06549(18) 0.4279(2) -0.02869(16) 0.0285(6) Uani 1 1 d . . . . .
H27A H 0.022378 0.459712 -0.076821 0.034 Uiso 1 1 calc R U . . .
H27B H 0.040123 0.413765 0.006810 0.034 Uiso 1 1 calc R U . . .
C28 C 0.1346(2) 0.5126(2) 0.00820(18) 0.0398(8) Uani 1 1 d . . . . .
H28A H 0.112134 0.580997 0.018813 0.048 Uiso 1 1 calc R U . . .
H28B H 0.176972 0.482543 0.056593 0.048 Uiso 1 1 calc R U . . .
H28C H 0.159212 0.528528 -0.027107 0.048 Uiso 1 1 calc R U . . .
C29 C 0.12754(18) 0.3337(2) -0.12943(15) 0.0289(6) Uani 1 1 d . . . . .
H29A H 0.180352 0.374911 -0.106645 0.035 Uiso 1 1 calc R U . . .
H29B H 0.137417 0.264251 -0.151491 0.035 Uiso 1 1 calc R U . . .
C30 C 0.0651(2) 0.4028(2) -0.19537(16) 0.0360(7) Uani 1 1 d . . . . .
H30A H 0.086431 0.417251 -0.233367 0.043 Uiso 1 1 calc R U . . .
H30B H 0.012865 0.362195 -0.220078 0.043 Uiso 1 1 calc R U . . .
H30C H 0.055956 0.473261 -0.175067 0.043 Uiso 1 1 calc R U . . .
C31 C 0.2580(2) 0.0660(3) -0.06604(18) 0.0415(8) Uani 1 1 d . . . . .
H31A H 0.267524 -0.012325 -0.048965 0.050 Uiso 1 1 calc R U . . .
H31B H 0.197570 0.075491 -0.095847 0.050 Uiso 1 1 calc R U . . .
C32 C 0.2960(3) 0.0831(3) -0.1212(2) 0.0649(11) Uani 1 1 d . . . . .
H32A H 0.271731 0.030658 -0.164170 0.078 Uiso 1 1 calc R U . . .
H32B H 0.285369 0.159074 -0.141204 0.078 Uiso 1 1 calc R U . . .
H32C H 0.355745 0.070729 -0.094039 0.078 Uiso 1 1 calc R U . . .
C33 C 0.38383(18) 0.0832(2) 0.09246(18) 0.0362(7) Uani 1 1 d . . . . .
H33A H 0.406422 0.129227 0.139745 0.043 Uiso 1 1 calc R U . . .
H33B H 0.366335 0.011893 0.106059 0.043 Uiso 1 1 calc R U . . .
C34 C 0.4535(2) 0.0591(3) 0.0710(2) 0.0593(11) Uani 1 1 d . . . . .
H34A H 0.498545 0.021999 0.114163 0.071 Uiso 1 1 calc R U . . .
H34B H 0.433394 0.010833 0.025488 0.071 Uiso 1 1 calc R U . . .
H34C H 0.473676 0.128737 0.059338 0.071 Uiso 1 1 calc R U . . .
C35 C 0.33746(19) 0.2759(2) -0.00062(18) 0.0367(7) Uani 1 1 d . . . . .
H35A H 0.386046 0.252607 -0.008265 0.044 Uiso 1 1 calc R U . . .
H35B H 0.296888 0.309012 -0.049558 0.044 Uiso 1 1 calc R U . . .
C36 C 0.3642(2) 0.3636(3) 0.0625(2) 0.0513(9) Uani 1 1 d . . . . .
H36A H 0.388303 0.426815 0.047682 0.062 Uiso 1 1 calc R U . . .
H36B H 0.316210 0.388402 0.069599 0.062 Uiso 1 1 calc R U . . .
H36C H 0.405423 0.331961 0.110918 0.062 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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
Bi1 C1 2.281(3) . ?
Bi1 C14 2.281(3) . ?
Bi1 Pt1 2.76100(15) . ?
Pt1 C19 2.064(3) . ?
Pt1 P2 2.3091(7) . ?
Pt1 P1 2.3275(7) . ?
P1 C27 1.824(3) . ?
P1 C25 1.829(3) . ?
P1 C29 1.836(3) . ?
P2 C33 1.836(3) . ?
P2 C35 1.841(3) . ?
P2 C31 1.846(3) . ?
N1 C8 1.460(4) . ?
N1 C7 1.466(3) . ?
N1 C15 1.497(4) . ?
C1 C2 1.387(4) . ?
C1 C6 1.396(4) . ?
C2 C3 1.390(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.372(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.394(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.516(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.520(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.397(4) . ?
C9 C14 1.403(4) . ?
C10 C11 1.377(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.375(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.389(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(4) . ?
C13 H13 0.9500 . ?
C15 C18 1.526(4) . ?
C15 C16 1.529(4) . ?
C15 C17 1.535(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.405(4) . ?
C19 C24 1.407(4) . ?
C20 C21 1.384(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.523(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.524(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.524(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.511(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.512(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.523(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 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
C1 Bi1 C14 102.86(10) . . ?
C1 Bi1 Pt1 101.40(6) . . ?
C14 Bi1 Pt1 100.02(7) . . ?
C19 Pt1 P2 172.03(8) . . ?
C19 Pt1 P1 85.45(7) . . ?
P2 Pt1 P1 99.88(3) . . ?
C19 Pt1 Bi1 74.87(7) . . ?
P2 Pt1 Bi1 101.230(18) . . ?
P1 Pt1 Bi1 156.027(18) . . ?
C27 P1 C25 101.43(14) . . ?
C27 P1 C29 103.07(13) . . ?
C25 P1 C29 102.88(14) . . ?
C27 P1 Pt1 114.71(9) . . ?
C25 P1 Pt1 109.32(9) . . ?
C29 P1 Pt1 122.85(9) . . ?
C33 P2 C35 100.66(14) . . ?
C33 P2 C31 104.32(15) . . ?
C35 P2 C31 104.27(15) . . ?
C33 P2 Pt1 118.15(10) . . ?
C35 P2 Pt1 113.72(11) . . ?
C31 P2 Pt1 113.97(11) . . ?
C8 N1 C7 110.4(2) . . ?
C8 N1 C15 112.8(2) . . ?
C7 N1 C15 116.0(2) . . ?
C2 C1 C6 118.1(3) . . ?
C2 C1 Bi1 116.6(2) . . ?
C6 C1 Bi1 124.77(19) . . ?
C1 C2 C3 121.8(3) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 H2 119.1 . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 119.9(3) . . ?
C5 C6 C7 119.4(2) . . ?
C1 C6 C7 120.6(2) . . ?
N1 C7 C6 113.3(2) . . ?
N1 C7 H7A 108.9 . . ?
C6 C7 H7A 108.9 . . ?
N1 C7 H7B 108.9 . . ?
C6 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
N1 C8 C9 114.5(2) . . ?
N1 C8 H8A 108.6 . . ?
C9 C8 H8A 108.6 . . ?
N1 C8 H8B 108.6 . . ?
C9 C8 H8B 108.6 . . ?
H8A C8 H8B 107.6 . . ?
C10 C9 C14 119.5(3) . . ?
C10 C9 C8 116.6(3) . . ?
C14 C9 C8 123.9(3) . . ?
C11 C10 C9 121.6(3) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C12 C11 C10 119.4(3) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C11 C12 C13 119.8(3) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C14 121.9(3) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C9 117.9(3) . . ?
C13 C14 Bi1 117.34(19) . . ?
C9 C14 Bi1 124.3(2) . . ?
N1 C15 C18 108.7(3) . . ?
N1 C15 C16 110.2(2) . . ?
C18 C15 C16 106.6(3) . . ?
N1 C15 C17 113.1(2) . . ?
C18 C15 C17 109.7(3) . . ?
C16 C15 C17 108.3(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 115.0(3) . . ?
C20 C19 Pt1 125.1(2) . . ?
C24 C19 Pt1 119.8(2) . . ?
C21 C20 C19 122.6(3) . . ?
C21 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.0(3) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C24 120.3(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 122.7(3) . . ?
C23 C24 H24 118.7 . . ?
C19 C24 H24 118.7 . . ?
C26 C25 P1 113.8(2) . . ?
C26 C25 H25A 108.8 . . ?
P1 C25 H25A 108.8 . . ?
C26 C25 H25B 108.8 . . ?
P1 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 P1 113.4(2) . . ?
C28 C27 H27A 108.9 . . ?
P1 C27 H27A 108.9 . . ?
C28 C27 H27B 108.9 . . ?
P1 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P1 116.9(2) . . ?
C30 C29 H29A 108.1 . . ?
P1 C29 H29A 108.1 . . ?
C30 C29 H29B 108.1 . . ?
P1 C29 H29B 108.1 . . ?
H29A C29 H29B 107.3 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P2 119.9(3) . . ?
C32 C31 H31A 107.3 . . ?
P2 C31 H31A 107.3 . . ?
C32 C31 H31B 107.3 . . ?
P2 C31 H31B 107.3 . . ?
H31A C31 H31B 106.9 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P2 118.4(2) . . ?
C34 C33 H33A 107.7 . . ?
P2 C33 H33A 107.7 . . ?
C34 C33 H33B 107.7 . . ?
P2 C33 H33B 107.7 . . ?
H33A C33 H33B 107.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P2 113.2(2) . . ?
C36 C35 H35A 108.9 . . ?
P2 C35 H35A 108.9 . . ?
C36 C35 H35B 108.9 . . ?
P2 C35 H35B 108.9 . . ?
H35A C35 H35B 107.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 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
C6 C1 C2 C3 -1.0(4) . . . . ?
Bi1 C1 C2 C3 -173.4(2) . . . . ?
C1 C2 C3 C4 -1.3(5) . . . . ?
C2 C3 C4 C5 2.0(5) . . . . ?
C3 C4 C5 C6 -0.5(5) . . . . ?
C4 C5 C6 C1 -1.9(5) . . . . ?
C4 C5 C6 C7 178.0(3) . . . . ?
C2 C1 C6 C5 2.5(4) . . . . ?
Bi1 C1 C6 C5 174.2(2) . . . . ?
C2 C1 C6 C7 -177.3(3) . . . . ?
Bi1 C1 C6 C7 -5.6(4) . . . . ?
C8 N1 C7 C6 -147.1(2) . . . . ?
C15 N1 C7 C6 83.0(3) . . . . ?
C5 C6 C7 N1 -137.8(3) . . . . ?
C1 C6 C7 N1 42.1(4) . . . . ?
C7 N1 C8 C9 69.2(3) . . . . ?
C15 N1 C8 C9 -159.2(2) . . . . ?
N1 C8 C9 C10 -156.2(3) . . . . ?
N1 C8 C9 C14 27.6(4) . . . . ?
C14 C9 C10 C11 1.8(5) . . . . ?
C8 C9 C10 C11 -174.6(3) . . . . ?
C9 C10 C11 C12 -0.8(5) . . . . ?
C10 C11 C12 C13 -0.5(5) . . . . ?
C11 C12 C13 C14 0.9(5) . . . . ?
C12 C13 C14 C9 0.1(4) . . . . ?
C12 C13 C14 Bi1 172.9(2) . . . . ?
C10 C9 C14 C13 -1.4(4) . . . . ?
C8 C9 C14 C13 174.7(3) . . . . ?
C10 C9 C14 Bi1 -173.7(2) . . . . ?
C8 C9 C14 Bi1 2.5(4) . . . . ?
C8 N1 C15 C18 64.1(3) . . . . ?
C7 N1 C15 C18 -167.2(2) . . . . ?
C8 N1 C15 C16 -179.5(2) . . . . ?
C7 N1 C15 C16 -50.7(3) . . . . ?
C8 N1 C15 C17 -58.0(3) . . . . ?
C7 N1 C15 C17 70.7(3) . . . . ?
C24 C19 C20 C21 1.5(4) . . . . ?
Pt1 C19 C20 C21 -179.6(2) . . . . ?
C19 C20 C21 C22 -0.6(4) . . . . ?
C20 C21 C22 C23 -0.7(4) . . . . ?
C21 C22 C23 C24 0.9(4) . . . . ?
C22 C23 C24 C19 0.1(4) . . . . ?
C20 C19 C24 C23 -1.2(4) . . . . ?
Pt1 C19 C24 C23 179.8(2) . . . . ?
C27 P1 C25 C26 -178.0(2) . . . . ?
C29 P1 C25 C26 75.6(2) . . . . ?
Pt1 P1 C25 C26 -56.5(2) . . . . ?
C25 P1 C27 C28 -174.7(2) . . . . ?
C29 P1 C27 C28 -68.4(2) . . . . ?
Pt1 P1 C27 C28 67.6(2) . . . . ?
C27 P1 C29 C30 -47.8(2) . . . . ?
C25 P1 C29 C30 57.4(2) . . . . ?
Pt1 P1 C29 C30 -179.11(17) . . . . ?
C33 P2 C31 C32 -84.5(3) . . . . ?
C35 P2 C31 C32 20.6(3) . . . . ?
Pt1 P2 C31 C32 145.2(3) . . . . ?
C35 P2 C33 C34 -53.9(3) . . . . ?
C31 P2 C33 C34 54.0(3) . . . . ?
Pt1 P2 C33 C34 -178.2(2) . . . . ?
C33 P2 C35 C36 -76.0(3) . . . . ?
C31 P2 C35 C36 176.1(2) . . . . ?
Pt1 P2 C35 C36 51.4(2) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
_chemical_properties_physical    Air-sensitive,Heat-sensitive,Oxygen-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_Complex-6a
_database_code_depnum_ccdc_archive 'CCDC 2043453'
loop_
_audit_author_name
_audit_author_address
'Shigeru Shimada'
;National Institute of Advanced Industrial Science and Technology (AIST)
Japan
;
_audit_update_record             
;
2020-11-10 deposited with the CCDC.	2020-11-16 downloaded from the CCDC.
;
_audit_creation_date             2020-11-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_audit_author_email              ?

# start Validation Reply Form
_vrf_RINTA01_I                   
;
PROBLEM: The value of Rint is greater than 0.25
RESPONSE: The quality of the data was poor because only very small and 
multi-crystalline samples were obtained. It was difficult to obtain 
a better quality crystal because the compound is unstable in solution 
and does not allow recrystallization.
;
_vrf_PLAT020_I                   
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.298 Report
RESPONSE: The quality of the data was poor because only very small and 
multi-crystalline samples were obtained. It was difficult to obtain 
a better quality crystal because the compound is unstable in solution 
and does not allow recrystallization.
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H51 Bi Cl N P2 Pt'
_chemical_formula_sum            'C30 H51 Bi Cl N P2 Pt'
_chemical_formula_weight         927.17
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H51BiClNP2Pt
_chemical_oxdiff_usercomment     tBuBismocine-PtCl(PEt3)2
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'
Bi Bi -4.1077 10.2566 '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'
N N 0.0061 0.0033 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.278(2)
_cell_length_b                   14.7178(6)
_cell_length_c                   18.1372(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.378(4)
_cell_angle_gamma                90
_cell_volume                     3276.6(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8909
_cell_measurement_temperature    93
_cell_measurement_theta_max      30.0390
_cell_measurement_theta_min      3.7260
_shelx_estimated_absorpt_T_max   0.828
_shelx_estimated_absorpt_T_min   0.546
_exptl_absorpt_coefficient_mu    9.827
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.20878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2983
_diffrn_reflns_av_unetI/netI     0.3548
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.918
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56399
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.723
_diffrn_reflns_theta_min         1.981
_diffrn_ambient_temperature      93
_diffrn_detector                 'PLATUS 200K area detector'
_diffrn_detector_area_resol_mean 5.811
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

 # Type Start End Width tₑₓₚ ω θ κ φ Frames
#--------------------------------------------------------------------------
 1 ω -105.00 75.00 0.50 40.00 -- -15.00 45.00 0.00 360
 2 ω -105.00 75.00 0.50 40.00 -- -15.00 45.00 90.00 360
 3 ω -105.00 75.00 0.50 40.00 -- -15.00 45.00 180.00 360
 4 ω -105.00 75.00 0.50 40.00 -- -15.00 45.00 270.00 360
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0403550000
_diffrn_orient_matrix_UB_12      -0.0187686000
_diffrn_orient_matrix_UB_13      0.0241787000
_diffrn_orient_matrix_UB_21      -0.0205084000
_diffrn_orient_matrix_UB_22      0.0261421000
_diffrn_orient_matrix_UB_23      0.0294495000
_diffrn_orient_matrix_UB_31      -0.0359470000
_diffrn_orient_matrix_UB_32      -0.0358701000
_diffrn_orient_matrix_UB_33      0.0088126000
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_type              micromax007
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3993
_reflns_number_total             9364
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         3.342
_refine_diff_density_min         -2.537
_refine_diff_density_rms         0.374
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         9364
_refine_ls_number_restraints     139
_refine_ls_R_factor_all          0.1784
_refine_ls_R_factor_gt           0.0755
_refine_ls_restrained_S_all      0.898
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0444P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1577
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C27-C28A = C29-C30A
 1.53 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C4) \\sim
Ueq, Uanis(C5) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C8)
\\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq,
Uanis(C16) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C27) \\sim Ueq,
Uanis(C29) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.1
Uanis(C21) = Uanis(C22)
Uanis(C23) = Uanis(C24)
Uanis(C25) = Uanis(C26)
Uanis(C27) = Uanis(C28A) = Uanis(C28B)
Uanis(C29) = Uanis(C30A) = Uanis(C30B)
4. Same fragment restrains
{P2, C27, C28A} sigma for 1-2: 0.02, 1-3: 0.04
{P2, C27, C28B} sigma for 1-2: 0.02, 1-3: 0.04
{P2, C29, C30A} sigma for 1-2: 0.02, 1-3: 0.04
{P2, C29, C30B} sigma for 1-2: 0.02, 1-3: 0.04
as in
{P2, C25, C26}
5. Others
 Sof(H27C)=Sof(H27D)=Sof(C28B)=Sof(H28D)=Sof(H28E)=Sof(H28F)=1-FVAR(1)
 Sof(H27A)=Sof(H27B)=Sof(C28A)=Sof(H28A)=Sof(H28B)=Sof(H28C)=FVAR(1)
 Sof(H29C)=Sof(H29D)=Sof(C30B)=Sof(H30D)=Sof(H30E)=Sof(H30F)=1-FVAR(2)
 Sof(H29A)=Sof(H29B)=Sof(C30A)=Sof(H30A)=Sof(H30B)=Sof(H30C)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C27(H27A,H27B), C27(H27C,H27D), C29(H29A,H29B), C29(H29C,
 H29D), C7(H7A,H7B), C8(H8A,H8B), C19(H19A,H19B), C21(H21A,H21B), C23(H23A,H23B)
6.b Me refined with riding coordinates:
 C26(H26A,H26B,H26C), C28B(H28D,H28E,H28F), C28A(H28A,H28B,H28C), C30B(H30D,
 H30E,H30F), C30A(H30A,H30B,H30C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C),
 C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C24(H24A,H24B,
 H24C)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group

Bi1 Bi 0.59030(4) 0.63585(3) 0.30616(3) 0.01898(15) Uani 1 1 d . . . . .
Pt1 Pt 0.64171(4) 0.77732(3) 0.39621(3) 0.02017(16) Uani 1 1 d . . . . .
Cl1 Cl 0.7243(3) 0.8993(2) 0.47313(19) 0.0310(9) Uani 1 1 d . . . . .
P1 P 0.5472(3) 0.8921(2) 0.3347(2) 0.0265(9) Uani 1 1 d . . . . .
P2 P 0.7276(3) 0.6796(2) 0.4765(2) 0.0261(9) Uani 1 1 d D . . . .
C25 C 0.8756(10) 0.6960(11) 0.4849(8) 0.043(3) Uani 1 1 d D U . . .
H25A H 0.891826 0.760803 0.494939 0.051 Uiso 1 1 calc R U . . .
H25B H 0.905144 0.659659 0.526736 0.051 Uiso 1 1 calc R U . . .
C26 C 0.9308(12) 0.6664(11) 0.4126(8) 0.043(3) Uani 1 1 d D . . . .
H26A H 1.009725 0.675404 0.417715 0.064 Uiso 1 1 calc R U . . .
H26B H 0.915434 0.602041 0.403169 0.064 Uiso 1 1 calc R U . . .
H26C H 0.902141 0.702993 0.371432 0.064 Uiso 1 1 calc R U . . .
C27 C 0.6879(10) 0.7014(12) 0.5733(7) 0.045(4) Uani 1 1 d D U . . .
H27A H 0.710273 0.648768 0.604084 0.054 Uiso 0.75(4) 1 calc R U P A 1
H27B H 0.728241 0.755240 0.592047 0.054 Uiso 0.75(4) 1 calc R U P A 1
H27C H 0.740203 0.672144 0.608253 0.054 Uiso 0.25(4) 1 calc R U P A 2
H27D H 0.687052 0.767520 0.583413 0.054 Uiso 0.25(4) 1 calc R U P A 2
C28A C 0.5667(12) 0.718(2) 0.5823(11) 0.045(4) Uani 0.75(4) 1 d D . P A 1
H28A H 0.551922 0.728516 0.634410 0.067 Uiso 0.75(4) 1 calc R U P A 1
H28B H 0.543975 0.770622 0.553108 0.067 Uiso 0.75(4) 1 calc R U P A 1
H28C H 0.525983 0.664008 0.565161 0.067 Uiso 0.75(4) 1 calc R U P A 1
C28B C 0.573(4) 0.661(6) 0.582(3) 0.045(4) Uani 0.25(4) 1 d D . P A 2
H28D H 0.548661 0.670840 0.632314 0.067 Uiso 0.25(4) 1 calc R U P A 2
H28E H 0.521974 0.690359 0.546978 0.067 Uiso 0.25(4) 1 calc R U P A 2
H28F H 0.574877 0.595428 0.571702 0.067 Uiso 0.25(4) 1 calc R U P A 2
C29 C 0.7145(13) 0.5556(9) 0.4676(11) 0.062(4) Uani 1 1 d D U . . .
H29A H 0.726370 0.537943 0.415727 0.074 Uiso 0.55(2) 1 calc R U P B 1
H29B H 0.771492 0.525872 0.498697 0.074 Uiso 0.55(2) 1 calc R U P B 1
H29C H 0.636755 0.538662 0.471037 0.074 Uiso 0.45(2) 1 calc R U P B 2
H29D H 0.739397 0.536891 0.418343 0.074 Uiso 0.45(2) 1 calc R U P B 2
C30A C 0.6011(19) 0.5216(18) 0.491(2) 0.062(4) Uani 0.55(2) 1 d D . P B 1
H30A H 0.597406 0.455408 0.485430 0.093 Uiso 0.55(2) 1 calc R U P B 1
H30B H 0.589650 0.537870 0.542577 0.093 Uiso 0.55(2) 1 calc R U P B 1
H30C H 0.544544 0.549936 0.459637 0.093 Uiso 0.55(2) 1 calc R U P B 1
C30B C 0.780(3) 0.5044(19) 0.5266(18) 0.062(4) Uani 0.45(2) 1 d D . P B 2
H30D H 0.770633 0.438882 0.519544 0.093 Uiso 0.45(2) 1 calc R U P B 2
H30E H 0.857591 0.519865 0.522825 0.093 Uiso 0.45(2) 1 calc R U P B 2
H30F H 0.754933 0.521637 0.575528 0.093 Uiso 0.45(2) 1 calc R U P B 2
N1 N 0.4895(8) 0.5530(7) 0.1725(6) 0.021(3) Uani 1 1 d . . . . .
C1 C 0.4067(10) 0.6569(8) 0.2965(8) 0.018(3) Uani 1 1 d . U . . .
C2 C 0.3547(10) 0.6784(8) 0.3630(8) 0.021(3) Uani 1 1 d . U . . .
H2 H 0.396192 0.686328 0.407392 0.025 Uiso 1 1 calc R U . . .
C3 C 0.2407(12) 0.6880(9) 0.3623(9) 0.029(4) Uani 1 1 d . U . . .
H3 H 0.205181 0.703208 0.406628 0.035 Uiso 1 1 calc R U . . .
C4 C 0.1818(11) 0.6759(9) 0.3004(8) 0.024(3) Uani 1 1 d . U . . .
H4 H 0.104807 0.682287 0.300814 0.028 Uiso 1 1 calc R U . . .
C5 C 0.2330(10) 0.6539(8) 0.2350(8) 0.023(3) Uani 1 1 d . U . . .
H5 H 0.189970 0.644640 0.191387 0.028 Uiso 1 1 calc R U . . .
C6 C 0.3459(11) 0.6450(8) 0.2320(7) 0.021(3) Uani 1 1 d . U . . .
C7 C 0.3978(10) 0.6169(8) 0.1618(8) 0.021(3) Uani 1 1 d . U . . .
H7A H 0.341880 0.588129 0.129283 0.025 Uiso 1 1 calc R U . . .
H7B H 0.424444 0.671808 0.136445 0.025 Uiso 1 1 calc R U . . .
C8 C 0.5702(10) 0.5731(8) 0.1170(7) 0.020(3) Uani 1 1 d . U . . .
H8A H 0.532247 0.578455 0.068406 0.024 Uiso 1 1 calc R U . . .
H8B H 0.620984 0.520985 0.114230 0.024 Uiso 1 1 calc R U . . .
C9 C 0.6365(10) 0.6590(8) 0.1307(8) 0.019(3) Uani 1 1 d . U . . .
C10 C 0.6871(11) 0.6985(9) 0.0714(8) 0.026(3) Uani 1 1 d . . . . .
H10 H 0.675264 0.672958 0.023826 0.031 Uiso 1 1 calc R U . . .
C11 C 0.7541(13) 0.7736(10) 0.0785(9) 0.036(4) Uani 1 1 d . . . . .
H11 H 0.790201 0.797659 0.037029 0.043 Uiso 1 1 calc R U . . .
C12 C 0.7670(12) 0.8115(10) 0.1453(9) 0.037(4) Uani 1 1 d . . . . .
H12 H 0.808874 0.865477 0.150197 0.045 Uiso 1 1 calc R U . . .
C13 C 0.7214(11) 0.7747(8) 0.2068(8) 0.024(3) Uani 1 1 d . . . . .
H13 H 0.737986 0.799377 0.254139 0.029 Uiso 1 1 calc R U . . .
C14 C 0.6497(10) 0.6997(9) 0.1995(8) 0.022(3) Uani 1 1 d . U . . .
C15 C 0.4579(11) 0.4546(9) 0.1736(7) 0.023(3) Uani 1 1 d . U . . .
C16 C 0.3659(12) 0.4400(8) 0.2262(9) 0.032(4) Uani 1 1 d . U . . .
H16A H 0.345860 0.375505 0.226554 0.048 Uiso 1 1 calc R U . . .
H16B H 0.389456 0.458537 0.276000 0.048 Uiso 1 1 calc R U . . .
H16C H 0.302746 0.476315 0.210294 0.048 Uiso 1 1 calc R U . . .
C17 C 0.4238(12) 0.4196(10) 0.0975(7) 0.027(3) Uani 1 1 d . U . . .
H17A H 0.404022 0.355288 0.100857 0.041 Uiso 1 1 calc R U . . .
H17B H 0.361041 0.454501 0.078765 0.041 Uiso 1 1 calc R U . . .
H17C H 0.484512 0.426555 0.063780 0.041 Uiso 1 1 calc R U . . .
C18 C 0.5599(13) 0.4007(10) 0.2048(9) 0.039(4) Uani 1 1 d . . . . .
H18A H 0.542716 0.335672 0.206476 0.059 Uiso 1 1 calc R U . . .
H18B H 0.621895 0.410523 0.172769 0.059 Uiso 1 1 calc R U . . .
H18C H 0.578392 0.422226 0.254695 0.059 Uiso 1 1 calc R U . . .
C19 C 0.4676(12) 0.9511(10) 0.4019(9) 0.042(4) Uani 1 1 d . U . . .
H19A H 0.518334 0.980915 0.437643 0.050 Uiso 1 1 calc R U . . .
H19B H 0.425845 0.999721 0.376252 0.050 Uiso 1 1 calc R U . . .
C20 C 0.3868(11) 0.8925(11) 0.4456(9) 0.041(4) Uani 1 1 d . . . . .
H20A H 0.348094 0.931102 0.480393 0.061 Uiso 1 1 calc R U . . .
H20B H 0.334224 0.864087 0.411319 0.061 Uiso 1 1 calc R U . . .
H20C H 0.427002 0.845221 0.472902 0.061 Uiso 1 1 calc R U . . .
C21 C 0.6384(11) 0.9806(9) 0.2975(9) 0.032(3) Uani 1 1 d . . . . .
H21A H 0.705980 0.982522 0.328418 0.038 Uiso 1 1 calc R U . . .
H21B H 0.659012 0.962722 0.247113 0.038 Uiso 1 1 calc R U . . .
C22 C 0.5903(11) 1.0748(9) 0.2944(8) 0.032(3) Uani 1 1 d . U . . .
H22A H 0.643495 1.117098 0.274159 0.048 Uiso 1 1 calc R U . . .
H22B H 0.524441 1.074356 0.262700 0.048 Uiso 1 1 calc R U . . .
H22C H 0.571499 1.094194 0.344162 0.048 Uiso 1 1 calc R U . . .
C23 C 0.4537(15) 0.8710(11) 0.2573(11) 0.057(4) Uani 1 1 d . U . . .
H23A H 0.484343 0.818285 0.230938 0.068 Uiso 1 1 calc R U . . .
H23B H 0.385551 0.849241 0.279372 0.068 Uiso 1 1 calc R U . . .
C24 C 0.4183(14) 0.9371(11) 0.1977(11) 0.057(4) Uani 1 1 d . . . . .
H24A H 0.367404 0.906954 0.163172 0.086 Uiso 1 1 calc R U . . .
H24B H 0.382212 0.989326 0.220132 0.086 Uiso 1 1 calc R U . . .
H24C H 0.482167 0.958005 0.171129 0.086 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
Bi1 Pt1 2.7114(7) . ?
Bi1 C1 2.278(12) . ?
Bi1 C14 2.286(13) . ?
Pt1 Cl1 2.475(3) . ?
Pt1 P1 2.320(4) . ?
Pt1 P2 2.286(4) . ?
P1 C19 1.804(15) . ?
P1 C21 1.856(13) . ?
P1 C23 1.820(19) . ?
P2 C25 1.836(12) . ?
P2 C27 1.862(13) . ?
P2 C29 1.839(13) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.552(14) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 H27C 0.9900 . ?
C27 H27D 0.9900 . ?
C27 C28B 1.545(18) . ?
C27 C28A 1.520(12) . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 0.9800 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 H29C 0.9900 . ?
C29 H29D 0.9900 . ?
C29 C30B 1.525(17) . ?
C29 C30A 1.548(13) . ?
C30B H30D 0.9800 . ?
C30B H30E 0.9800 . ?
C30B H30F 0.9800 . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
N1 C7 1.475(16) . ?
N1 C8 1.460(15) . ?
N1 C15 1.499(16) . ?
C1 C2 1.414(18) . ?
C1 C6 1.384(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.407(18) . ?
C3 H3 0.9500 . ?
C3 C4 1.33(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.394(18) . ?
C5 H5 0.9500 . ?
C5 C6 1.394(17) . ?
C6 C7 1.495(18) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.522(17) . ?
C9 C10 1.382(17) . ?
C9 C14 1.391(18) . ?
C10 H10 0.9500 . ?
C10 C11 1.382(19) . ?
C11 H11 0.9500 . ?
C11 C12 1.34(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.371(19) . ?
C13 H13 0.9500 . ?
C13 C14 1.415(18) . ?
C15 C16 1.513(18) . ?
C15 C17 1.522(18) . ?
C15 C18 1.58(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.547(19) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.508(18) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.51(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 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
C1 Bi1 Pt1 99.1(3) . . ?
C1 Bi1 C14 102.4(5) . . ?
C14 Bi1 Pt1 96.9(4) . . ?
Cl1 Pt1 Bi1 169.28(8) . . ?
P1 Pt1 Bi1 99.40(10) . . ?
P1 Pt1 Cl1 86.33(12) . . ?
P2 Pt1 Bi1 89.88(10) . . ?
P2 Pt1 Cl1 85.45(13) . . ?
P2 Pt1 P1 169.10(14) . . ?
C19 P1 Pt1 107.4(6) . . ?
C19 P1 C21 104.5(7) . . ?
C19 P1 C23 105.2(8) . . ?
C21 P1 Pt1 112.8(5) . . ?
C23 P1 Pt1 123.1(5) . . ?
C23 P1 C21 102.4(8) . . ?
C25 P2 Pt1 114.3(5) . . ?
C25 P2 C27 100.4(7) . . ?
C25 P2 C29 102.8(7) . . ?
C27 P2 Pt1 111.4(5) . . ?
C29 P2 Pt1 122.0(6) . . ?
C29 P2 C27 103.3(8) . . ?
P2 C25 H25A 109.6 . . ?
P2 C25 H25B 109.6 . . ?
H25A C25 H25B 108.1 . . ?
C26 C25 P2 110.1(10) . . ?
C26 C25 H25A 109.6 . . ?
C26 C25 H25B 109.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
P2 C27 H27A 108.7 . . ?
P2 C27 H27B 108.7 . . ?
P2 C27 H27C 110.4 . . ?
P2 C27 H27D 110.4 . . ?
H27A C27 H27B 107.6 . . ?
H27C C27 H27D 108.6 . . ?
C28B C27 P2 106.8(18) . . ?
C28B C27 H27C 110.4 . . ?
C28B C27 H27D 110.4 . . ?
C28A C27 P2 114.1(12) . . ?
C28A C27 H27A 108.7 . . ?
C28A C27 H27B 108.7 . . ?
C27 C28B H28D 109.5 . . ?
C27 C28B H28E 109.5 . . ?
C27 C28B H28F 109.5 . . ?
H28D C28B H28E 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 109.5 . . ?
C27 C28A H28A 109.5 . . ?
C27 C28A H28B 109.5 . . ?
C27 C28A H28C 109.5 . . ?
H28A C28A H28B 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
P2 C29 H29A 109.2 . . ?
P2 C29 H29B 109.2 . . ?
P2 C29 H29C 109.1 . . ?
P2 C29 H29D 109.1 . . ?
H29A C29 H29B 107.9 . . ?
H29C C29 H29D 107.8 . . ?
C30B C29 P2 112.6(15) . . ?
C30B C29 H29C 109.1 . . ?
C30B C29 H29D 109.1 . . ?
C30A C29 P2 112.0(13) . . ?
C30A C29 H29A 109.2 . . ?
C30A C29 H29B 109.2 . . ?
C29 C30B H30D 109.5 . . ?
C29 C30B H30E 109.5 . . ?
C29 C30B H30F 109.5 . . ?
H30D C30B H30E 109.5 . . ?
H30D C30B H30F 109.5 . . ?
H30E C30B H30F 109.5 . . ?
C29 C30A H30A 109.5 . . ?
C29 C30A H30B 109.5 . . ?
C29 C30A H30C 109.5 . . ?
H30A C30A H30B 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C7 N1 C15 114.9(10) . . ?
C8 N1 C7 108.0(10) . . ?
C8 N1 C15 112.6(9) . . ?
C2 C1 Bi1 115.5(9) . . ?
C6 C1 Bi1 124.1(9) . . ?
C6 C1 C2 120.2(11) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.0(13) . . ?
C3 C2 H2 120.5 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.9(13) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.1(13) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.2 . . ?
C6 C5 C4 121.6(13) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 118.2(12) . . ?
C1 C6 C7 121.4(11) . . ?
C5 C6 C7 120.2(13) . . ?
N1 C7 C6 113.9(11) . . ?
N1 C7 H7A 108.8 . . ?
N1 C7 H7B 108.8 . . ?
C6 C7 H7A 108.8 . . ?
C6 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
N1 C8 H8A 108.5 . . ?
N1 C8 H8B 108.5 . . ?
N1 C8 C9 115.1(10) . . ?
H8A C8 H8B 107.5 . . ?
C9 C8 H8A 108.5 . . ?
C9 C8 H8B 108.5 . . ?
C10 C9 C8 118.1(12) . . ?
C10 C9 C14 118.2(11) . . ?
C14 C9 C8 123.7(12) . . ?
C9 C10 H10 118.6 . . ?
C11 C10 C9 122.9(13) . . ?
C11 C10 H10 118.6 . . ?
C10 C11 H11 120.9 . . ?
C12 C11 C10 118.2(14) . . ?
C12 C11 H11 120.9 . . ?
C11 C12 H12 119.0 . . ?
C11 C12 C13 122.0(14) . . ?
C13 C12 H12 119.0 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.8(13) . . ?
C14 C13 H13 120.1 . . ?
C9 C14 Bi1 123.4(9) . . ?
C9 C14 C13 118.5(12) . . ?
C13 C14 Bi1 116.9(10) . . ?
N1 C15 C16 110.1(10) . . ?
N1 C15 C17 112.4(11) . . ?
N1 C15 C18 106.8(11) . . ?
C16 C15 C17 109.3(11) . . ?
C16 C15 C18 107.4(11) . . ?
C17 C15 C18 110.7(11) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P1 C19 H19A 108.2 . . ?
P1 C19 H19B 108.2 . . ?
H19A C19 H19B 107.4 . . ?
C20 C19 P1 116.3(11) . . ?
C20 C19 H19A 108.2 . . ?
C20 C19 H19B 108.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P1 C21 H21A 108.6 . . ?
P1 C21 H21B 108.6 . . ?
H21A C21 H21B 107.5 . . ?
C22 C21 P1 114.8(9) . . ?
C22 C21 H21A 108.6 . . ?
C22 C21 H21B 108.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
P1 C23 H23A 105.4 . . ?
P1 C23 H23B 105.4 . . ?
H23A C23 H23B 106.0 . . ?
C24 C23 P1 127.4(13) . . ?
C24 C23 H23A 105.4 . . ?
C24 C23 H23B 105.4 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
Bi1 C1 C2 C3 -176.8(9) . . . . ?
Bi1 C1 C6 C5 175.5(9) . . . . ?
Bi1 C1 C6 C7 -0.1(17) . . . . ?
Pt1 P1 C19 C20 -57.1(13) . . . . ?
Pt1 P1 C21 C22 -148.9(10) . . . . ?
Pt1 P1 C23 C24 -157.2(14) . . . . ?
Pt1 P2 C25 C26 -69.6(11) . . . . ?
Pt1 P2 C27 C28B 77(4) . . . . ?
Pt1 P2 C27 C28A 43.5(17) . . . . ?
Pt1 P2 C29 C30B 179.2(18) . . . . ?
Pt1 P2 C29 C30A -73.4(19) . . . . ?
C25 P2 C27 C28B -162(4) . . . . ?
C25 P2 C27 C28A 164.8(17) . . . . ?
C25 P2 C29 C30B 49(2) . . . . ?
C25 P2 C29 C30A 156.9(18) . . . . ?
C27 P2 C25 C26 171.1(11) . . . . ?
C27 P2 C29 C30B -55(2) . . . . ?
C27 P2 C29 C30A 52.8(19) . . . . ?
C29 P2 C25 C26 64.8(12) . . . . ?
C29 P2 C27 C28B -56(4) . . . . ?
C29 P2 C27 C28A -89.2(17) . . . . ?
N1 C8 C9 C10 -159.2(11) . . . . ?
N1 C8 C9 C14 21.3(18) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C1 C6 C7 N1 35.4(17) . . . . ?
C2 C1 C6 C5 -0.8(19) . . . . ?
C2 C1 C6 C7 -176.4(11) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C3 C4 C5 C6 -1(2) . . . . ?
C4 C5 C6 C1 1.4(19) . . . . ?
C4 C5 C6 C7 177.0(11) . . . . ?
C5 C6 C7 N1 -140.1(12) . . . . ?
C6 C1 C2 C3 -0.3(18) . . . . ?
C7 N1 C8 C9 74.1(14) . . . . ?
C7 N1 C15 C16 -49.8(15) . . . . ?
C7 N1 C15 C17 72.3(14) . . . . ?
C7 N1 C15 C18 -166.1(11) . . . . ?
C8 N1 C7 C6 -145.4(10) . . . . ?
C8 N1 C15 C16 -174.0(11) . . . . ?
C8 N1 C15 C17 -51.9(14) . . . . ?
C8 N1 C15 C18 69.7(13) . . . . ?
C8 C9 C10 C11 -176.2(13) . . . . ?
C8 C9 C14 Bi1 7.2(18) . . . . ?
C8 C9 C14 C13 174.2(12) . . . . ?
C9 C10 C11 C12 -3(2) . . . . ?
C10 C9 C14 Bi1 -172.3(9) . . . . ?
C10 C9 C14 C13 -5.3(19) . . . . ?
C10 C11 C12 C13 4(2) . . . . ?
C11 C12 C13 C14 -6(2) . . . . ?
C12 C13 C14 Bi1 174.8(10) . . . . ?
C12 C13 C14 C9 7(2) . . . . ?
C14 C9 C10 C11 3(2) . . . . ?
C15 N1 C7 C6 88.0(14) . . . . ?
C15 N1 C8 C9 -158.1(11) . . . . ?
C19 P1 C21 C22 -32.6(13) . . . . ?
C19 P1 C23 C24 79.7(18) . . . . ?
C21 P1 C19 C20 -177.0(12) . . . . ?
C21 P1 C23 C24 -29.3(18) . . . . ?
C23 P1 C19 C20 75.6(13) . . . . ?
C23 P1 C21 C22 76.8(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.719
_oxdiff_exptl_absorpt_empirical_full_min 0.442
_oxdiff_twin_integration_method  simultaneous
_oxdiff_twin_items               2
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_oxdiff_twin_reflns_isolated
_oxdiff_twin_reflns_overlapped
_twin_individual_twin_lattice_type
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.5170 45309 15684 ref 1.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000
0.0000 1.0000
2 0.4830 45145 15684 nmt 0.9998 0.0279 -0.0008 -0.0388 0.9991 0.0252 0.0044
-0.0394 0.9993

_twin_special_details            
;
Component 2 rotated by 2.6119° 
 around [-0.54 -0.05 -0.84] (reciprocal) or [-0.82 -0.05 -0.57] (direct)
;

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-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_C-Pt-BiCl
_database_code_depnum_ccdc_archive 'CCDC 1991385'
loop_
_audit_author_name
_audit_author_address
'Shigeru Shimada'
;National Institute of Advanced Industrial Science and Technology (AIST)
Japan
;
_audit_update_record             
;
2020-03-19 deposited with the CCDC.	2020-11-16 downloaded from the CCDC.
;
_audit_creation_date             2019-08-29
_audit_creation_method           'by CrystalStructure 4.3'

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C31 H53 Bi Cl3 N P2 Pt'
_chemical_formula_moiety         'C30 H51 Bi Cl N P2 Pt, C H2 Cl2'
_chemical_formula_weight         1012.14
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   12.8505(4)
_cell_length_b                   13.1916(4)
_cell_length_c                   21.3892(7)
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.9660(4)
_cell_angle_gamma                90.0000
_cell_volume                     3612.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9962
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      28.60
_cell_measurement_temperature    153(2)
#------------------------------------------------------------------------------
_exptl_crystal_description       prismatic
_exptl_crystal_colour            yellow-orange
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1952.00
_exptl_absorpt_coefficient_mu    9.040
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.278
_exptl_absorpt_correction_T_max  0.612
_exptl_absorpt_process_details   
;
SADABS; Sheldrick 1996
;

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      153(2)
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_reflns_number            20047
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.591
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             8161
_reflns_number_gt                7421
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0416
_refine_ls_wR_factor_gt          0.0406
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         8161
_refine_ls_number_parameters     352
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0100P)²+6.8000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.77
_refine_diff_density_min         -1.21
_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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Bi Bi -4.1077 10.2566
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Bi1 Bi 0.31908(2) 0.08665(2) 0.23218(2) 0.01727(3) Uani 1 1 d . . . . .
Pt1 Pt 0.17553(2) 0.20692(2) 0.16900(2) 0.01366(3) Uani 1 1 d . . . . .
Cl1 Cl 0.19611(7) -0.02022(6) 0.30688(4) 0.02774(18) Uani 1 1 d . . . . .
Cl2 Cl 0.59717(12) 0.64429(10) 0.05031(8) 0.0772(4) Uani 1 1 d . . . . .
Cl3 Cl 0.66962(14) 0.44625(12) 0.01851(7) 0.0828(5) Uani 1 1 d . . . . .
P1 P 0.11632(6) 0.26763(6) 0.26196(4) 0.01752(16) Uani 1 1 d . . . . .
P2 P 0.09955(7) 0.32522(6) 0.09879(4) 0.01857(16) Uani 1 1 d . . . . .
N1 N 0.4547(2) 0.1322(2) 0.14919(13) 0.0207(6) Uani 1 1 d . . . . .
C1 C 0.3266(2) -0.0501(2) 0.17007(15) 0.0209(7) Uani 1 1 d . . . . .
C2 C 0.2572(3) -0.1310(2) 0.17049(16) 0.0258(7) Uani 1 1 d . . . . .
H2 H 0.204903 -0.130674 0.199246 0.031 Uiso 1 1 calc R U . . .
C3 C 0.2630(3) -0.2118(3) 0.12996(19) 0.0332(8) Uani 1 1 d . . . . .
H3 H 0.213895 -0.265582 0.130152 0.040 Uiso 1 1 calc R U . . .
C4 C 0.3407(3) -0.2140(3) 0.0890(2) 0.0390(9) Uani 1 1 d . . . . .
H4 H 0.346213 -0.270258 0.061726 0.047 Uiso 1 1 calc R U . . .
C5 C 0.4100(3) -0.1345(3) 0.08785(19) 0.0364(9) Uani 1 1 d . . . . .
H5 H 0.462438 -0.135949 0.059156 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4045(3) -0.0518(2) 0.12816(17) 0.0241(7) Uani 1 1 d . . . . .
C7 C 0.4870(3) 0.0304(2) 0.12703(17) 0.0258(7) Uani 1 1 d . . . . .
H7A H 0.549902 0.008384 0.153575 0.031 Uiso 1 1 calc R U . . .
H7B H 0.506950 0.037266 0.083545 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3991(3) 0.1891(3) 0.09554(15) 0.0237(7) Uani 1 1 d . . . . .
H8A H 0.449371 0.204781 0.064317 0.028 Uiso 1 1 calc R U . . .
H8B H 0.373328 0.254255 0.111264 0.028 Uiso 1 1 calc R U . . .
C9 C 0.3087(2) 0.1312(2) 0.06385(15) 0.0189(6) Uani 1 1 d . . . . .
C10 C 0.3195(3) 0.0827(3) 0.00703(16) 0.0290(8) Uani 1 1 d . . . . .
H10 H 0.382843 0.090036 -0.012351 0.035 Uiso 1 1 calc R U . . .
C11 C 0.2406(3) 0.0243(3) -0.02175(16) 0.0315(8) Uani 1 1 d . . . . .
H11 H 0.248763 -0.007250 -0.060938 0.038 Uiso 1 1 calc R U . . .
C12 C 0.1491(3) 0.0122(3) 0.00708(16) 0.0254(7) Uani 1 1 d . . . . .
H12 H 0.095046 -0.030171 -0.011316 0.030 Uiso 1 1 calc R U . . .
C13 C 0.1367(2) 0.0622(2) 0.06302(14) 0.0191(6) Uani 1 1 d . . . . .
H13 H 0.073474 0.053222 0.082296 0.023 Uiso 1 1 calc R U . . .
C14 C 0.2144(2) 0.1259(2) 0.09232(13) 0.0143(6) Uani 1 1 d . . . . .
C15 C 0.5483(3) 0.1921(3) 0.17859(17) 0.0280(8) Uani 1 1 d . . . . .
C16 C 0.5931(3) 0.1405(3) 0.2392(2) 0.0440(10) Uani 1 1 d . . . . .
H16A H 0.653028 0.179401 0.257679 0.053 Uiso 1 1 calc R U . . .
H16B H 0.539275 0.137503 0.268929 0.053 Uiso 1 1 calc R U . . .
H16C H 0.615541 0.071622 0.229729 0.053 Uiso 1 1 calc R U . . .
C17 C 0.6357(3) 0.2028(3) 0.1346(2) 0.0417(10) Uani 1 1 d . . . . .
H17A H 0.693637 0.241615 0.155631 0.050 Uiso 1 1 calc R U . . .
H17B H 0.660606 0.135336 0.123734 0.050 Uiso 1 1 calc R U . . .
H17C H 0.608877 0.238212 0.096270 0.050 Uiso 1 1 calc R U . . .
C18 C 0.5122(3) 0.2984(3) 0.1961(2) 0.0392(10) Uani 1 1 d . . . . .
H18A H 0.572005 0.337120 0.214923 0.047 Uiso 1 1 calc R U . . .
H18B H 0.482281 0.333281 0.158215 0.047 Uiso 1 1 calc R U . . .
H18C H 0.459213 0.292803 0.226182 0.047 Uiso 1 1 calc R U . . .
C19 C 0.2079(3) 0.2671(3) 0.33236(15) 0.0234(7) Uani 1 1 d . . . . .
H19A H 0.169811 0.285428 0.369054 0.028 Uiso 1 1 calc R U . . .
H19B H 0.235751 0.197648 0.339260 0.028 Uiso 1 1 calc R U . . .
C20 C 0.2991(3) 0.3405(3) 0.32819(17) 0.0324(8) Uani 1 1 d . . . . .
H20A H 0.345396 0.337021 0.367020 0.039 Uiso 1 1 calc R U . . .
H20B H 0.338154 0.321847 0.292538 0.039 Uiso 1 1 calc R U . . .
H20C H 0.272180 0.409671 0.322347 0.039 Uiso 1 1 calc R U . . .
C21 C 0.0630(3) 0.3966(2) 0.26410(15) 0.0241(7) Uani 1 1 d . . . . .
H21A H 0.117341 0.444332 0.252181 0.029 Uiso 1 1 calc R U . . .
H21B H 0.003544 0.401475 0.231532 0.029 Uiso 1 1 calc R U . . .
C22 C 0.0253(3) 0.4328(3) 0.32632(16) 0.0309(8) Uani 1 1 d . . . . .
H22A H -0.001230 0.502255 0.321515 0.037 Uiso 1 1 calc R U . . .
H22B H -0.030593 0.388123 0.338274 0.037 Uiso 1 1 calc R U . . .
H22C H 0.083645 0.431147 0.359004 0.037 Uiso 1 1 calc R U . . .
C23 C 0.0098(3) 0.1879(3) 0.28611(16) 0.0242(7) Uani 1 1 d . . . . .
H23A H 0.035908 0.117636 0.292210 0.029 Uiso 1 1 calc R U . . .
H23B H -0.010573 0.212510 0.327024 0.029 Uiso 1 1 calc R U . . .
C24 C -0.0866(3) 0.1864(3) 0.23937(18) 0.0306(8) Uani 1 1 d . . . . .
H24A H -0.139901 0.142580 0.255249 0.037 Uiso 1 1 calc R U . . .
H24B H -0.114167 0.255410 0.233819 0.037 Uiso 1 1 calc R U . . .
H24C H -0.067627 0.160416 0.198961 0.037 Uiso 1 1 calc R U . . .
C25 C 0.1398(3) 0.4563(2) 0.11713(16) 0.0273(8) Uani 1 1 d . . . . .
H25A H 0.124094 0.498702 0.079295 0.033 Uiso 1 1 calc R U . . .
H25B H 0.098091 0.482631 0.150378 0.033 Uiso 1 1 calc R U . . .
C26 C 0.2553(3) 0.4669(3) 0.1389(2) 0.0394(10) Uani 1 1 d . . . . .
H26A H 0.271556 0.538252 0.147834 0.047 Uiso 1 1 calc R U . . .
H26B H 0.271300 0.426519 0.176963 0.047 Uiso 1 1 calc R U . . .
H26C H 0.297327 0.442604 0.105812 0.047 Uiso 1 1 calc R U . . .
C27 C 0.1356(3) 0.3107(3) 0.01803(15) 0.0244(7) Uani 1 1 d . . . . .
H27A H 0.212193 0.319271 0.018431 0.029 Uiso 1 1 calc R U . . .
H27B H 0.118974 0.240490 0.004268 0.029 Uiso 1 1 calc R U . . .
C28 C 0.0834(3) 0.3833(3) -0.03088(17) 0.0383(10) Uani 1 1 d . . . . .
H28A H 0.108295 0.368703 -0.071977 0.046 Uiso 1 1 calc R U . . .
H28B H 0.007482 0.374248 -0.033114 0.046 Uiso 1 1 calc R U . . .
H28C H 0.101014 0.453294 -0.018903 0.046 Uiso 1 1 calc R U . . .
C29 C -0.0432(3) 0.3341(3) 0.08914(16) 0.0263(7) Uani 1 1 d . . . . .
H29A H -0.069263 0.346878 0.130648 0.032 Uiso 1 1 calc R U . . .
H29B H -0.063227 0.392824 0.061893 0.032 Uiso 1 1 calc R U . . .
C30 C -0.0966(3) 0.2389(3) 0.06060(19) 0.0349(9) Uani 1 1 d . . . . .
H30A H -0.172461 0.248623 0.056747 0.042 Uiso 1 1 calc R U . . .
H30B H -0.072671 0.226523 0.018986 0.042 Uiso 1 1 calc R U . . .
H30C H -0.078714 0.180530 0.087811 0.042 Uiso 1 1 calc R U . . .
C31 C 0.6033(4) 0.5155(4) 0.0724(2) 0.0546(12) Uani 1 1 d . . . . .
H31A H 0.640031 0.508936 0.114830 0.065 Uiso 1 1 calc R U . . .
H31B H 0.531698 0.488346 0.073755 0.065 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_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
Bi1 C1 2.248(3) . ?
Bi1 N1 2.662(3) . ?
Bi1 Pt1 2.70457(17) . ?
Bi1 Cl1 2.7338(8) . ?
Pt1 C14 2.055(3) . ?
Pt1 P2 2.3216(8) . ?
Pt1 P1 2.3316(8) . ?
Cl2 C31 1.763(5) . ?
Cl3 C31 1.750(5) . ?
P1 C19 1.829(3) . ?
P1 C23 1.835(3) . ?
P1 C21 1.837(3) . ?
P2 C29 1.832(3) . ?
P2 C27 1.837(3) . ?
P2 C25 1.838(3) . ?
N1 C7 1.495(4) . ?
N1 C8 1.499(4) . ?
N1 C15 1.529(4) . ?
C1 C2 1.392(5) . ?
C1 C6 1.400(5) . ?
C2 C3 1.379(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.518(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.502(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.391(5) . ?
C9 C14 1.405(4) . ?
C10 C11 1.376(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.388(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.409(4) . ?
C13 H13 0.9500 . ?
C15 C16 1.531(5) . ?
C15 C17 1.533(5) . ?
C15 C18 1.533(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.529(5) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.531(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.523(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.522(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.529(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.532(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9900 . ?
C31 H31B 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
C1 Bi1 N1 73.91(10) . . ?
C1 Bi1 Pt1 103.77(8) . . ?
N1 Bi1 Pt1 89.53(6) . . ?
C1 Bi1 Cl1 89.33(9) . . ?
N1 Bi1 Cl1 162.01(6) . . ?
Pt1 Bi1 Cl1 100.999(19) . . ?
C14 Pt1 P2 87.19(8) . . ?
C14 Pt1 P1 168.24(8) . . ?
P2 Pt1 P1 99.83(3) . . ?
C14 Pt1 Bi1 83.77(8) . . ?
P2 Pt1 Bi1 161.44(2) . . ?
P1 Pt1 Bi1 91.96(2) . . ?
C19 P1 C23 102.01(15) . . ?
C19 P1 C21 101.42(16) . . ?
C23 P1 C21 103.60(16) . . ?
C19 P1 Pt1 117.82(11) . . ?
C23 P1 Pt1 110.45(11) . . ?
C21 P1 Pt1 119.31(11) . . ?
C29 P2 C27 103.43(16) . . ?
C29 P2 C25 102.99(16) . . ?
C27 P2 C25 102.08(16) . . ?
C29 P2 Pt1 118.48(12) . . ?
C27 P2 Pt1 114.34(11) . . ?
C25 P2 Pt1 113.55(11) . . ?
C7 N1 C8 109.5(3) . . ?
C7 N1 C15 111.3(2) . . ?
C8 N1 C15 111.2(3) . . ?
C7 N1 Bi1 102.98(18) . . ?
C8 N1 Bi1 109.14(18) . . ?
C15 N1 Bi1 112.34(19) . . ?
C2 C1 C6 119.1(3) . . ?
C2 C1 Bi1 123.5(2) . . ?
C6 C1 Bi1 117.4(2) . . ?
C3 C2 C1 121.3(3) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C2 C3 C4 119.7(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 121.1(3) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C5 C6 C1 119.0(3) . . ?
C5 C6 C7 118.4(3) . . ?
C1 C6 C7 122.5(3) . . ?
N1 C7 C6 115.0(3) . . ?
N1 C7 H7A 108.5 . . ?
C6 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C6 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
N1 C8 C9 112.9(3) . . ?
N1 C8 H8A 109.0 . . ?
C9 C8 H8A 109.0 . . ?
N1 C8 H8B 109.0 . . ?
C9 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
C10 C9 C14 120.7(3) . . ?
C10 C9 C8 119.8(3) . . ?
C14 C9 C8 119.5(3) . . ?
C11 C10 C9 121.5(3) . . ?
C11 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
C10 C11 C12 119.2(3) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C11 C12 C13 119.7(3) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C12 C13 C14 122.5(3) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
C9 C14 C13 116.2(3) . . ?
C9 C14 Pt1 126.7(2) . . ?
C13 C14 Pt1 117.0(2) . . ?
N1 C15 C16 110.0(3) . . ?
N1 C15 C17 112.8(3) . . ?
C16 C15 C17 108.6(3) . . ?
N1 C15 C18 109.2(3) . . ?
C16 C15 C18 107.4(3) . . ?
C17 C15 C18 108.6(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 P1 113.0(2) . . ?
C20 C19 H19A 109.0 . . ?
P1 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
P1 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P1 117.2(3) . . ?
C22 C21 H21A 108.0 . . ?
P1 C21 H21A 108.0 . . ?
C22 C21 H21B 108.0 . . ?
P1 C21 H21B 108.0 . . ?
H21A C21 H21B 107.2 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P1 114.0(2) . . ?
C24 C23 H23A 108.8 . . ?
P1 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
P1 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P2 113.6(2) . . ?
C26 C25 H25A 108.8 . . ?
P2 C25 H25A 108.8 . . ?
C26 C25 H25B 108.8 . . ?
P2 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 P2 116.6(2) . . ?
C28 C27 H27A 108.2 . . ?
P2 C27 H27A 108.2 . . ?
C28 C27 H27B 108.2 . . ?
P2 C27 H27B 108.2 . . ?
H27A C27 H27B 107.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P2 113.7(2) . . ?
C30 C29 H29A 108.8 . . ?
P2 C29 H29A 108.8 . . ?
C30 C29 H29B 108.8 . . ?
P2 C29 H29B 108.8 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Cl3 C31 Cl2 109.9(3) . . ?
Cl3 C31 H31A 109.7 . . ?
Cl2 C31 H31A 109.7 . . ?
Cl3 C31 H31B 109.7 . . ?
Cl2 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?

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 C1 C2 C3 -0.9(5) . . . . ?
Bi1 C1 C2 C3 177.8(3) . . . . ?
C1 C2 C3 C4 1.6(6) . . . . ?
C2 C3 C4 C5 -1.7(6) . . . . ?
C3 C4 C5 C6 1.0(6) . . . . ?
C4 C5 C6 C1 -0.3(6) . . . . ?
C4 C5 C6 C7 176.6(4) . . . . ?
C2 C1 C6 C5 0.2(5) . . . . ?
Bi1 C1 C6 C5 -178.6(3) . . . . ?
C2 C1 C6 C7 -176.5(3) . . . . ?
Bi1 C1 C6 C7 4.7(4) . . . . ?
C8 N1 C7 C6 -86.1(3) . . . . ?
C15 N1 C7 C6 150.5(3) . . . . ?
Bi1 N1 C7 C6 29.9(3) . . . . ?
C5 C6 C7 N1 155.8(3) . . . . ?
C1 C6 C7 N1 -27.5(5) . . . . ?
C7 N1 C8 C9 54.5(3) . . . . ?
C15 N1 C8 C9 178.0(3) . . . . ?
Bi1 N1 C8 C9 -57.5(3) . . . . ?
N1 C8 C9 C10 -102.1(4) . . . . ?
N1 C8 C9 C14 77.2(4) . . . . ?
C14 C9 C10 C11 -3.0(5) . . . . ?
C8 C9 C10 C11 176.4(3) . . . . ?
C9 C10 C11 C12 -1.2(6) . . . . ?
C10 C11 C12 C13 2.7(5) . . . . ?
C11 C12 C13 C14 0.0(5) . . . . ?
C10 C9 C14 C13 5.4(4) . . . . ?
C8 C9 C14 C13 -174.0(3) . . . . ?
C10 C9 C14 Pt1 -171.0(2) . . . . ?
C8 C9 C14 Pt1 9.6(4) . . . . ?
C12 C13 C14 C9 -3.9(4) . . . . ?
C12 C13 C14 Pt1 172.8(2) . . . . ?
C7 N1 C15 C16 -66.4(4) . . . . ?
C8 N1 C15 C16 171.1(3) . . . . ?
Bi1 N1 C15 C16 48.5(3) . . . . ?
C7 N1 C15 C17 55.0(4) . . . . ?
C8 N1 C15 C17 -67.4(4) . . . . ?
Bi1 N1 C15 C17 170.0(3) . . . . ?
C7 N1 C15 C18 175.9(3) . . . . ?
C8 N1 C15 C18 53.5(4) . . . . ?
Bi1 N1 C15 C18 -69.2(3) . . . . ?
C23 P1 C19 C20 -172.3(3) . . . . ?
C21 P1 C19 C20 -65.6(3) . . . . ?
Pt1 P1 C19 C20 66.6(3) . . . . ?
C19 P1 C21 C22 -48.7(3) . . . . ?
C23 P1 C21 C22 56.8(3) . . . . ?
Pt1 P1 C21 C22 -179.9(2) . . . . ?
C19 P1 C23 C24 171.7(3) . . . . ?
C21 P1 C23 C24 66.7(3) . . . . ?
Pt1 P1 C23 C24 -62.2(3) . . . . ?
C29 P2 C25 C26 169.7(3) . . . . ?
C27 P2 C25 C26 -83.2(3) . . . . ?
Pt1 P2 C25 C26 40.3(3) . . . . ?
C29 P2 C27 C28 46.7(3) . . . . ?
C25 P2 C27 C28 -60.0(3) . . . . ?
Pt1 P2 C27 C28 177.0(3) . . . . ?
C27 P2 C29 C30 62.4(3) . . . . ?
C25 P2 C29 C30 168.4(3) . . . . ?
Pt1 P2 C29 C30 -65.3(3) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive
