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

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2099083'
loop_
_audit_author_name
_audit_author_address
'Deng-Ke Cao'
;Nanjing University
China
;
_audit_update_record             
;
2021-12-06 deposited with the CCDC.	2021-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H29 N4 Pt S2, F6 P, C7 H8'
_chemical_formula_sum            'C39 H37 F6 N4 P Pt S2'
_chemical_formula_weight         965.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.2607(3)
_cell_length_b                   27.1529(10)
_cell_length_c                   18.6030(8)
_cell_angle_alpha                90
_cell_angle_beta                 99.488(2)
_cell_angle_gamma                90
_cell_volume                     3617.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    16520
_cell_measurement_theta_min      2.529
_cell_measurement_theta_max      53.785

_exptl_crystal_description       blocky
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_F_000             1912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_absorpt_coefficient_mu    6.353
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.340
_exptl_absorpt_correction_T_max  0.438
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   'SADABS, Bruker(2000)'
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruke D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49312
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_av_R_equivalents  0.0668
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.528
_diffrn_reflns_theta_max         53.889
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6609
_reflns_number_gt                5378
_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       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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)+(0.0329P)²+13.6935P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6609
_refine_ls_number_parameters     558
_refine_ls_number_restraints     253
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.0914
_refine_ls_wR_factor_gt          0.0856
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.058
_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 0.19495(3) 0.48946(2) 0.94918(2) 0.03014(8) Uani 1 1 d . . . . .
P1 P 0.4362(3) 0.71627(7) 0.66026(11) 0.0654(6) Uani 1 1 d . . . . .
S1 S 0.1278(3) 0.38964(6) 0.66438(9) 0.0504(4) Uani 1 1 d . . . . .
S2 S -0.0271(3) 0.56679(7) 0.51994(9) 0.0551(4) Uani 1 1 d . . . . .
F1 F 0.4465(10) 0.7229(3) 0.5776(3) 0.141(3) Uani 1 1 d . . . . .
F2 F 0.2086(18) 0.7176(8) 0.6402(7) 0.110(5) Uani 0.52(2) 1 d . U P A 1
F3 F 0.451(4) 0.7715(5) 0.6640(11) 0.128(5) Uani 0.52(2) 1 d . U P A 1
F2A F 0.270(3) 0.7486(9) 0.6586(13) 0.144(6) Uani 0.48(2) 1 d . U P A 2
F3A F 0.565(3) 0.7656(8) 0.6823(11) 0.118(5) Uani 0.48(2) 1 d . U P A 2
F4 F 0.4256(10) 0.7110(3) 0.7425(3) 0.123(2) Uani 1 1 d . . . . .
F5 F 0.653(3) 0.7126(8) 0.6758(13) 0.116(5) Uani 0.52(2) 1 d . U P A 1
F6 F 0.422(3) 0.6598(8) 0.6564(13) 0.122(5) Uani 0.52(2) 1 d . U P A 1
F5A F 0.633(3) 0.6901(8) 0.6740(14) 0.115(5) Uani 0.48(2) 1 d . U P A 2
F6A F 0.344(4) 0.6672(10) 0.6401(16) 0.145(7) Uani 0.48(2) 1 d . U P A 2
N1 N 0.1362(6) 0.41867(17) 0.9231(2) 0.0341(10) Uani 1 1 d . . . . .
N2 N 0.2492(6) 0.56208(16) 0.9745(2) 0.0316(10) Uani 1 1 d . . . . .
N3 N 0.1313(6) 0.52449(16) 0.8460(2) 0.0323(10) Uani 1 1 d . . . . .
N4 N 0.0466(7) 0.59383(16) 0.7870(3) 0.0359(11) Uani 1 1 d . . . . .
C1 C 0.2686(7) 0.4578(2) 1.0472(3) 0.0324(12) Uani 1 1 d . . . . .
C2 C 0.3021(8) 0.4775(2) 1.1172(3) 0.0366(13) Uani 1 1 d . . . . .
H2A H 0.275401 0.510583 1.123476 0.044 Uiso 1 1 calc R U . . .
C3 C 0.3738(9) 0.4497(2) 1.1778(3) 0.0448(15) Uani 1 1 d . . . . .
H3A H 0.396050 0.464421 1.223575 0.054 Uiso 1 1 calc R U . . .
C4 C 0.4128(9) 0.3998(3) 1.1708(4) 0.0521(17) Uani 1 1 d . . . . .
H4A H 0.467447 0.381518 1.210985 0.062 Uiso 1 1 calc R U . . .
C5 C 0.3688(8) 0.3784(2) 1.1034(3) 0.0425(15) Uani 1 1 d . . . . .
H5A H 0.388832 0.344828 1.098356 0.051 Uiso 1 1 calc R U . . .
C6 C 0.2942(8) 0.4061(2) 1.0422(3) 0.0373(13) Uani 1 1 d . . . . .
C7 C 0.2179(8) 0.3846(2) 0.9722(3) 0.0368(13) Uani 1 1 d . . . . .
C8 C 0.2097(9) 0.3348(2) 0.9541(4) 0.0466(15) Uani 1 1 d . . . . .
H8A H 0.272321 0.311900 0.986447 0.056 Uiso 1 1 calc R U . . .
C9 C 0.1098(9) 0.3193(2) 0.8889(4) 0.0512(17) Uani 1 1 d . . . . .
H9A H 0.106327 0.286158 0.876233 0.061 Uiso 1 1 calc R U . . .
C10 C 0.0145(9) 0.3538(2) 0.8424(3) 0.0447(15) Uani 1 1 d . . . . .
H10A H -0.058947 0.344090 0.798979 0.054 Uiso 1 1 calc R U . . .
C11 C 0.0296(8) 0.4028(2) 0.8612(3) 0.0392(14) Uani 1 1 d . . . . .
H11A H -0.036206 0.425840 0.830064 0.047 Uiso 1 1 calc R U . . .
C12 C 0.3461(8) 0.5794(2) 1.0365(3) 0.0352(13) Uani 1 1 d . . . . .
H12A H 0.414721 0.557451 1.068695 0.042 Uiso 1 1 calc R U . . .
C13 C 0.3485(8) 0.6288(2) 1.0548(3) 0.0418(15) Uani 1 1 d . . . . .
H13A H 0.417895 0.639695 1.098365 0.050 Uiso 1 1 calc R U . . .
C14 C 0.2466(9) 0.6616(2) 1.0075(3) 0.0429(15) Uani 1 1 d . . . . .
H14A H 0.239418 0.694599 1.020176 0.052 Uiso 1 1 calc R U . . .
C15 C 0.1559(8) 0.6448(2) 0.9413(3) 0.0399(14) Uani 1 1 d . . . . .
H15A H 0.089527 0.666615 0.908249 0.048 Uiso 1 1 calc R U . . .
C16 C 0.1632(8) 0.5955(2) 0.9241(3) 0.0350(13) Uani 1 1 d . . . . .
C17 C 0.1040(8) 0.5731(2) 0.8535(3) 0.0342(12) Uani 1 1 d . . . . .
C18 C 0.0937(8) 0.5145(2) 0.7723(3) 0.0362(13) Uani 1 1 d . . . . .
C19 C 0.0392(8) 0.5578(2) 0.7358(3) 0.0362(13) Uani 1 1 d . . . . .
C20 C -0.1762(10) 0.4544(3) 0.6530(4) 0.0562(18) Uani 1 1 d . . . . .
H20A H -0.220567 0.429469 0.617771 0.067 Uiso 1 1 calc R U . . .
H20B H -0.255574 0.455563 0.689472 0.067 Uiso 1 1 calc R U . . .
H20C H -0.177816 0.485779 0.629203 0.067 Uiso 1 1 calc R U . . .
C21 C 0.0180(9) 0.4425(2) 0.6881(3) 0.0426(15) Uani 1 1 d . . . . .
C22 C 0.1347(9) 0.4674(2) 0.7407(3) 0.0386(13) Uani 1 1 d . . . . .
C23 C 0.3129(9) 0.4435(2) 0.7616(3) 0.0411(14) Uani 1 1 d . . . . .
H23A H 0.407116 0.455950 0.796860 0.049 Uiso 1 1 calc R U . . .
C24 C 0.3295(9) 0.4013(2) 0.7251(3) 0.0442(15) Uani 1 1 d . . . . .
C25 C 0.4921(11) 0.3672(3) 0.7308(4) 0.064(2) Uani 1 1 d . . . . .
H25A H 0.461700 0.340171 0.697691 0.077 Uiso 1 1 calc R U . . .
H25B H 0.597930 0.384588 0.718622 0.077 Uiso 1 1 calc R U . . .
H25C H 0.521502 0.354885 0.779706 0.077 Uiso 1 1 calc R U . . .
C26 C 0.2883(10) 0.5369(3) 0.6173(4) 0.0590(19) Uani 1 1 d . . . . .
H26A H 0.326678 0.532772 0.570653 0.071 Uiso 1 1 calc R U . . .
H26B H 0.369257 0.560167 0.645738 0.071 Uiso 1 1 calc R U . . .
H26C H 0.295036 0.505858 0.642170 0.071 Uiso 1 1 calc R U . . .
C27 C 0.0911(10) 0.5557(2) 0.6066(3) 0.0470(15) Uani 1 1 d . . . . .
C28 C -0.0169(9) 0.5666(2) 0.6567(3) 0.0403(14) Uani 1 1 d . . . . .
C29 C -0.1984(9) 0.5843(2) 0.6252(3) 0.0462(15) Uani 1 1 d . . . . .
H29A H -0.288510 0.593552 0.652799 0.055 Uiso 1 1 calc R U . . .
C30 C -0.2260(9) 0.5863(2) 0.5523(3) 0.0489(16) Uani 1 1 d . . . . .
C31 C -0.3979(11) 0.6020(3) 0.4999(4) 0.067(2) Uani 1 1 d . . . . .
H31A H -0.373926 0.599367 0.450783 0.081 Uiso 1 1 calc R U . . .
H31B H -0.500666 0.580962 0.505869 0.081 Uiso 1 1 calc R U . . .
H31C H -0.428198 0.635438 0.509684 0.081 Uiso 1 1 calc R U . . .
C32 C 0.0164(10) 0.6463(2) 0.7710(3) 0.0473(16) Uani 1 1 d . . . . .
H32A H -0.012285 0.650976 0.719227 0.057 Uiso 1 1 calc R U . . .
H32B H 0.127293 0.664357 0.790118 0.057 Uiso 1 1 calc R U . . .
H32C H -0.085813 0.657907 0.793223 0.057 Uiso 1 1 calc R U . . .
C33 C 0.1116(18) 0.2602(4) 0.6520(5) 0.089(4) Uani 0.618(14) 1 d G U P B 1
H33 H 0.106441 0.250252 0.699438 0.107 Uiso 0.618(14) 1 calc R U P B 1
C34 C 0.2810(15) 0.2599(4) 0.6264(6) 0.089(4) Uani 0.618(14) 1 d G U P B 1
H34 H 0.389132 0.249767 0.656719 0.107 Uiso 0.618(14) 1 calc R U P B 1
C35 C 0.2886(14) 0.2747(4) 0.5554(6) 0.097(4) Uani 0.618(14) 1 d G U P B 1
H35 H 0.401962 0.274492 0.538272 0.116 Uiso 0.618(14) 1 calc R U P B 1
C36 C 0.1270(18) 0.2898(4) 0.5100(5) 0.090(4) Uani 0.618(14) 1 d G U P B 1
H36 H 0.132102 0.299702 0.462543 0.108 Uiso 0.618(14) 1 calc R U P B 1
C37 C -0.0424(15) 0.2901(4) 0.5356(6) 0.084(4) Uani 0.618(14) 1 d G U P B 1
H37 H -0.150590 0.300187 0.505260 0.101 Uiso 0.618(14) 1 calc R U P B 1
C38 C -0.0501(14) 0.2753(4) 0.6066(6) 0.092(4) Uani 0.618(14) 1 d G U P B 1
C39 C -0.237(3) 0.2777(8) 0.6249(12) 0.126(7) Uani 0.618(14) 1 d . U P B 1
H39A H -0.314886 0.253321 0.597331 0.190 Uiso 0.618(14) 1 calc R U P B 1
H39B H -0.288852 0.309798 0.613340 0.190 Uiso 0.618(14) 1 calc R U P B 1
H39C H -0.231432 0.271424 0.675988 0.190 Uiso 0.618(14) 1 calc R U P B 1
C33A C 0.1850(18) 0.2696(7) 0.5916(9) 0.078(5) Uani 0.382(14) 1 d DG U P B 2
H33A H 0.298448 0.266694 0.574904 0.094 Uiso 0.382(14) 1 calc R U P B 2
C34A C 0.174(2) 0.2586(6) 0.6637(8) 0.083(6) Uani 0.382(14) 1 d G U P B 2
H34A H 0.279489 0.248268 0.695241 0.099 Uiso 0.382(14) 1 calc R U P B 2
C35A C 0.004(3) 0.2630(7) 0.6886(8) 0.086(6) Uani 0.382(14) 1 d G U P B 2
H35A H -0.003427 0.255606 0.736843 0.103 Uiso 0.382(14) 1 calc R U P B 2
C36A C -0.154(2) 0.2784(7) 0.6414(10) 0.085(6) Uani 0.382(14) 1 d G U P B 2
H36A H -0.267385 0.281371 0.658108 0.102 Uiso 0.382(14) 1 calc R U P B 2
C37A C -0.1426(19) 0.2895(7) 0.5693(9) 0.081(5) Uani 0.382(14) 1 d DG U P B 2
H37A H -0.248429 0.299797 0.537771 0.097 Uiso 0.382(14) 1 calc R U P B 2
C38A C 0.027(2) 0.2851(7) 0.5444(7) 0.080(5) Uani 0.382(14) 1 d G U P B 2
C39A C 0.042(4) 0.2982(13) 0.4692(19) 0.133(10) Uani 0.382(14) 1 d D U P B 2
H39D H 0.006604 0.332083 0.460646 0.199 Uiso 0.382(14) 1 calc R U P B 2
H39E H -0.040196 0.277619 0.436251 0.199 Uiso 0.382(14) 1 calc R U P B 2
H39F H 0.167899 0.293602 0.461467 0.199 Uiso 0.382(14) 1 calc R U P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.008(5) . ?
Pt1 N1 2.011(5) . ?
Pt1 N2 2.050(4) . ?
Pt1 N3 2.124(4) . ?
P1 F2A 1.489(14) . ?
P1 F3 1.504(15) . ?
P1 F6A 1.51(2) . ?
P1 F6 1.54(2) . ?
P1 F4 1.551(6) . ?
P1 F5 1.56(2) . ?
P1 F1 1.562(6) . ?
P1 F5A 1.58(2) . ?
P1 F2 1.634(13) . ?
P1 F3A 1.646(17) . ?
S1 C24 1.725(7) . ?
S1 C21 1.733(6) . ?
S2 C27 1.724(6) . ?
S2 C30 1.736(7) . ?
N1 C11 1.347(7) . ?
N1 C7 1.365(7) . ?
N2 C12 1.334(7) . ?
N2 C16 1.378(7) . ?
N3 C17 1.345(7) . ?
N3 C18 1.379(7) . ?
N4 C19 1.360(7) . ?
N4 C17 1.361(7) . ?
N4 C32 1.464(7) . ?
C1 C2 1.392(8) . ?
C1 C6 1.419(8) . ?
C2 C3 1.386(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.393(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.372(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.398(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.453(8) . ?
C7 C8 1.392(8) . ?
C8 C9 1.373(9) . ?
C8 H8A 0.9300 . ?
C9 C10 1.381(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.374(8) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 C13 1.382(8) . ?
C12 H12A 0.9300 . ?
C13 C14 1.378(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.375(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.379(8) . ?
C15 H15A 0.9300 . ?
C16 C17 1.446(8) . ?
C18 C19 1.381(8) . ?
C18 C22 1.460(8) . ?
C19 C28 1.481(8) . ?
C20 C21 1.489(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.364(8) . ?
C22 C23 1.442(9) . ?
C23 C24 1.347(8) . ?
C23 H23A 0.9300 . ?
C24 C25 1.490(9) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.502(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.346(9) . ?
C28 C29 1.435(8) . ?
C29 C30 1.338(8) . ?
C29 H29A 0.9300 . ?
C30 C31 1.513(9) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.3900 . ?
C33 C38 1.3900 . ?
C33 H33 0.9300 . ?
C34 C35 1.3900 . ?
C34 H34 0.9300 . ?
C35 C36 1.3900 . ?
C35 H35 0.9300 . ?
C36 C37 1.3900 . ?
C36 H36 0.9300 . ?
C37 C38 1.3900 . ?
C37 H37 0.9300 . ?
C38 C39 1.46(2) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C33A C34A 1.3900 . ?
C33A C38A 1.3900 . ?
C33A H33A 0.9300 . ?
C34A C35A 1.3900 . ?
C34A H34A 0.9300 . ?
C35A C36A 1.3900 . ?
C35A H35A 0.9300 . ?
C36A C37A 1.3900 . ?
C36A H36A 0.9300 . ?
C37A C38A 1.3900 . ?
C37A H37A 0.9300 . ?
C38A C39A 1.46(4) . ?
C39A H39D 0.9600 . ?
C39A H39E 0.9600 . ?
C39A H39F 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 N1 79.8(2) . . ?
C1 Pt1 N2 101.0(2) . . ?
N1 Pt1 N2 178.73(18) . . ?
C1 Pt1 N3 177.02(19) . . ?
N1 Pt1 N3 101.76(18) . . ?
N2 Pt1 N3 77.39(17) . . ?
F2A P1 F6A 101.1(13) . . ?
F3 P1 F6 179.7(12) . . ?
F2A P1 F4 84.4(9) . . ?
F3 P1 F4 93.5(8) . . ?
F6A P1 F4 94.1(12) . . ?
F6 P1 F4 86.5(10) . . ?
F3 P1 F5 89.4(10) . . ?
F6 P1 F5 90.2(10) . . ?
F4 P1 F5 91.4(9) . . ?
F2A P1 F1 94.7(9) . . ?
F3 P1 F1 85.2(8) . . ?
F6A P1 F1 87.0(12) . . ?
F6 P1 F1 94.8(10) . . ?
F4 P1 F1 178.7(4) . . ?
F5 P1 F1 88.8(9) . . ?
F2A P1 F5A 168.0(13) . . ?
F6A P1 F5A 89.6(11) . . ?
F4 P1 F5A 89.4(10) . . ?
F1 P1 F5A 91.3(10) . . ?
F3 P1 F2 93.0(9) . . ?
F6 P1 F2 87.4(9) . . ?
F4 P1 F2 90.8(6) . . ?
F5 P1 F2 176.6(10) . . ?
F1 P1 F2 89.0(6) . . ?
F2A P1 F3A 87.1(10) . . ?
F6A P1 F3A 171.8(12) . . ?
F4 P1 F3A 87.0(7) . . ?
F1 P1 F3A 92.0(7) . . ?
F5A P1 F3A 82.3(10) . . ?
C24 S1 C21 93.3(3) . . ?
C27 S2 C30 92.5(3) . . ?
C11 N1 C7 118.7(5) . . ?
C11 N1 Pt1 125.5(4) . . ?
C7 N1 Pt1 115.8(4) . . ?
C12 N2 C16 118.1(5) . . ?
C12 N2 Pt1 126.3(4) . . ?
C16 N2 Pt1 115.4(3) . . ?
C17 N3 C18 106.7(4) . . ?
C17 N3 Pt1 111.0(4) . . ?
C18 N3 Pt1 142.0(4) . . ?
C19 N4 C17 108.0(5) . . ?
C19 N4 C32 124.8(5) . . ?
C17 N4 C32 126.9(5) . . ?
C2 C1 C6 115.9(5) . . ?
C2 C1 Pt1 131.6(4) . . ?
C6 C1 Pt1 112.5(4) . . ?
C3 C2 C1 122.4(6) . . ?
C3 C2 H2A 118.8 . . ?
C1 C2 H2A 118.8 . . ?
C2 C3 C4 120.6(6) . . ?
C2 C3 H3A 119.7 . . ?
C4 C3 H3A 119.7 . . ?
C5 C4 C3 118.5(6) . . ?
C5 C4 H4A 120.7 . . ?
C3 C4 H4A 120.7 . . ?
C4 C5 C6 121.1(6) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
C5 C6 C1 121.1(6) . . ?
C5 C6 C7 123.6(6) . . ?
C1 C6 C7 114.9(5) . . ?
N1 C7 C8 120.0(6) . . ?
N1 C7 C6 112.8(5) . . ?
C8 C7 C6 127.0(6) . . ?
C9 C8 C7 120.4(6) . . ?
C9 C8 H8A 119.8 . . ?
C7 C8 H8A 119.8 . . ?
C8 C9 C10 118.9(6) . . ?
C8 C9 H9A 120.6 . . ?
C10 C9 H9A 120.6 . . ?
C11 C10 C9 119.1(6) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
N1 C11 C10 122.5(6) . . ?
N1 C11 H11A 118.7 . . ?
C10 C11 H11A 118.7 . . ?
N2 C12 C13 122.6(6) . . ?
N2 C12 H12A 118.7 . . ?
C13 C12 H12A 118.7 . . ?
C14 C13 C12 119.1(6) . . ?
C14 C13 H13A 120.4 . . ?
C12 C13 H13A 120.4 . . ?
C15 C14 C13 118.9(6) . . ?
C15 C14 H14A 120.5 . . ?
C13 C14 H14A 120.5 . . ?
C14 C15 C16 120.0(6) . . ?
C14 C15 H15A 120.0 . . ?
C16 C15 H15A 120.0 . . ?
N2 C16 C15 120.7(5) . . ?
N2 C16 C17 112.0(5) . . ?
C15 C16 C17 127.1(5) . . ?
N3 C17 N4 109.8(5) . . ?
N3 C17 C16 118.7(5) . . ?
N4 C17 C16 130.6(5) . . ?
N3 C18 C19 108.4(5) . . ?
N3 C18 C22 123.5(5) . . ?
C19 C18 C22 127.5(5) . . ?
N4 C19 C18 107.0(5) . . ?
N4 C19 C28 123.5(5) . . ?
C18 C19 C28 129.4(5) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C20 129.7(6) . . ?
C22 C21 S1 109.6(5) . . ?
C20 C21 S1 120.7(5) . . ?
C21 C22 C23 113.2(5) . . ?
C21 C22 C18 125.4(6) . . ?
C23 C22 C18 121.3(5) . . ?
C24 C23 C22 113.4(6) . . ?
C24 C23 H23A 123.3 . . ?
C22 C23 H23A 123.3 . . ?
C23 C24 C25 128.9(6) . . ?
C23 C24 S1 110.4(5) . . ?
C25 C24 S1 120.7(5) . . ?
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 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C26 129.4(6) . . ?
C28 C27 S2 110.6(5) . . ?
C26 C27 S2 120.0(5) . . ?
C27 C28 C29 113.1(6) . . ?
C27 C28 C19 123.8(6) . . ?
C29 C28 C19 123.0(6) . . ?
C30 C29 C28 113.7(6) . . ?
C30 C29 H29A 123.2 . . ?
C28 C29 H29A 123.2 . . ?
C29 C30 C31 129.4(7) . . ?
C29 C30 S2 110.2(5) . . ?
C31 C30 S2 120.4(5) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N4 C32 H32A 109.5 . . ?
N4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C38 120.0 . . ?
C34 C33 H33 120.0 . . ?
C38 C33 H33 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C36 C37 C38 120.0 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 C33 120.0 . . ?
C37 C38 C39 113.2(12) . . ?
C33 C38 C39 126.8(12) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C34A C33A C38A 120.0 . . ?
C34A C33A H33A 120.0 . . ?
C38A C33A H33A 120.0 . . ?
C35A C34A C33A 120.0 . . ?
C35A C34A H34A 120.0 . . ?
C33A C34A H34A 120.0 . . ?
C36A C35A C34A 120.0 . . ?
C36A C35A H35A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C35A C36A C37A 120.0 . . ?
C35A C36A H36A 120.0 . . ?
C37A C36A H36A 120.0 . . ?
C38A C37A C36A 120.0 . . ?
C38A C37A H37A 120.0 . . ?
C36A C37A H37A 120.0 . . ?
C37A C38A C33A 120.0 . . ?
C37A C38A C39A 120.4(8) . . ?
C33A C38A C39A 119.6(8) . . ?
C38A C39A H39D 109.5 . . ?
C38A C39A H39E 109.5 . . ?
H39D C39A H39E 109.5 . . ?
C38A C39A H39F 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?

_refine_diff_density_max         1.029
_refine_diff_density_min         -1.052
_refine_diff_density_rms         0.108

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2122586'
loop_
_audit_author_name
_audit_author_address
'Deng-Ke Cao'
;Nanjing University
China
;
_audit_update_record             
;
2021-12-14 deposited with the CCDC.	2021-12-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H27 F2 N4 Pt S2, F6 P'
_chemical_formula_sum            'C32 H27 F8 N4 P Pt S2'
_chemical_formula_weight         909.75

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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.0408(5)
_cell_length_b                   17.9156(8)
_cell_length_c                   19.9292(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.929(2)
_cell_angle_gamma                90
_cell_volume                     3204.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    10391
_cell_measurement_theta_min      2.273
_cell_measurement_theta_max      27.375

_exptl_crystal_description       blocky
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_F_000             1776
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.637
_shelx_estimated_absorpt_T_min   0.606
_shelx_estimated_absorpt_T_max   0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_T_max  0.629
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruke Smart Aepex CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14076
_diffrn_reflns_av_unetI/netI     0.0666
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.274
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7311
_reflns_number_gt                5523
_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       'SMART (Bruker, 2000)'
_computing_cell_refinement       SMART
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_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)+(0.0269P)²+2.9997P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7311
_refine_ls_number_parameters     501
_refine_ls_number_restraints     160
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0378
_refine_ls_wR_factor_ref         0.0823
_refine_ls_wR_factor_gt          0.0758
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.027
_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 0.64234(2) 0.43047(2) 0.49140(2) 0.02559(6) Uani 1 1 d . . . . .
S1 S 0.21713(17) 0.03200(7) 0.42259(7) 0.0377(3) Uani 1 1 d . . . . .
S2 S 0.6327(5) 0.1449(3) 0.6344(2) 0.0312(7) Uani 0.826(7) 1 d D U P A 1
S2A S 0.656(3) 0.1594(15) 0.6350(14) 0.052(7) Uani 0.174(7) 1 d D U P A 2
P1 P 0.71303(19) 0.23157(9) 0.28420(8) 0.0423(4) Uani 1 1 d . . . . .
F1 F 0.9463(5) 0.69043(18) 0.48021(18) 0.0581(10) Uani 1 1 d . . . . .
F2 F 1.0317(4) 0.54763(19) 0.67653(17) 0.0552(10) Uani 1 1 d . . . . .
F3 F 0.7326(6) 0.2443(3) 0.3638(2) 0.0936(17) Uani 1 1 d . . . . .
F4 F 0.5423(6) 0.2412(4) 0.2831(3) 0.125(2) Uani 1 1 d . . . . .
F5 F 0.6888(7) 0.1460(2) 0.2946(2) 0.1026(19) Uani 1 1 d . . . . .
F6 F 0.6988(6) 0.2168(3) 0.20638(18) 0.0904(16) Uani 1 1 d . . . . .
F7 F 0.8827(6) 0.2198(5) 0.2879(3) 0.164(3) Uani 1 1 d . . . . .
F8 F 0.7301(10) 0.3163(3) 0.2733(3) 0.158(3) Uani 1 1 d . . . . .
N1 N 0.6802(5) 0.4101(2) 0.5912(2) 0.0292(9) Uani 1 1 d . . . . .
N2 N 0.5973(5) 0.4509(2) 0.3903(2) 0.0284(9) Uani 1 1 d . . . . .
N3 N 0.5075(5) 0.3384(2) 0.45799(18) 0.0245(8) Uani 1 1 d . . . . .
N4 N 0.3288(5) 0.2983(2) 0.38121(19) 0.0258(9) Uani 1 1 d . . . . .
C1 C 0.7790(6) 0.5153(3) 0.5209(2) 0.0298(11) Uani 1 1 d . . . . .
C2 C 0.8090(6) 0.5799(3) 0.4879(3) 0.0333(12) Uani 1 1 d . . . . .
H2A H 0.754821 0.591069 0.446434 0.040 Uiso 1 1 calc R U . . .
C3 C 0.9184(7) 0.6285(3) 0.5154(3) 0.0450(15) Uani 1 1 d . . . . .
C4 C 0.9998(7) 0.6182(3) 0.5772(3) 0.0458(15) Uani 1 1 d . . . . .
H4A H 1.074533 0.650968 0.594460 0.055 Uiso 1 1 calc R U . . .
C5 C 0.9632(7) 0.5564(3) 0.6115(3) 0.0420(14) Uani 1 1 d . . . . .
C6 C 0.8567(6) 0.5037(3) 0.5866(3) 0.0320(11) Uani 1 1 d . . . . .
C7 C 0.8026(6) 0.4430(3) 0.6260(3) 0.0324(11) Uani 1 1 d . . . . .
C8 C 0.8541(8) 0.4220(3) 0.6913(3) 0.0482(16) Uani 1 1 d . . . . .
H8A H 0.943095 0.440859 0.713032 0.058 Uiso 1 1 calc R U . . .
C9 C 0.7689(8) 0.3715(3) 0.7239(3) 0.0530(18) Uani 1 1 d . . . . .
H9A H 0.801663 0.356392 0.767878 0.064 Uiso 1 1 calc R U . . .
C10 C 0.6361(8) 0.3437(3) 0.6915(3) 0.0452(15) Uani 1 1 d . . . . .
H10A H 0.575472 0.312563 0.713717 0.054 Uiso 1 1 calc R U . . .
C11 C 0.5970(6) 0.3642(3) 0.6244(2) 0.0326(12) Uani 1 1 d . . . . .
H11A H 0.509325 0.345258 0.601490 0.039 Uiso 1 1 calc R U . . .
C12 C 0.6706(7) 0.4970(3) 0.3531(3) 0.0370(13) Uani 1 1 d . . . . .
H12A H 0.759968 0.517706 0.372538 0.044 Uiso 1 1 calc R U . . .
C13 C 0.6196(8) 0.5149(3) 0.2875(3) 0.0467(16) Uani 1 1 d . . . . .
H13A H 0.674283 0.546914 0.263276 0.056 Uiso 1 1 calc R U . . .
C14 C 0.4892(8) 0.4859(3) 0.2581(3) 0.0503(17) Uani 1 1 d . . . . .
H14A H 0.450634 0.500295 0.214677 0.060 Uiso 1 1 calc R U . . .
C15 C 0.4133(7) 0.4341(3) 0.2939(2) 0.0397(13) Uani 1 1 d . . . . .
H15A H 0.324996 0.412543 0.274181 0.048 Uiso 1 1 calc R U . . .
C16 C 0.4718(6) 0.4157(2) 0.3587(2) 0.0285(11) Uani 1 1 d . . . . .
C17 C 0.4258(6) 0.3548(3) 0.3988(2) 0.0272(10) Uani 1 1 d . . . . .
C18 C 0.4645(6) 0.2683(2) 0.4771(2) 0.0257(10) Uani 1 1 d D . . . .
C19 C 0.3536(6) 0.2430(2) 0.4298(2) 0.0270(10) Uani 1 1 d . . . . .
C20 C 0.3326(8) 0.1755(5) 0.5913(4) 0.0464(19) Uani 0.826(7) 1 d D U P A 1
H20A H 0.272968 0.213759 0.567685 0.070 Uiso 0.826(7) 1 calc R U P A 1
H20B H 0.323117 0.178261 0.638690 0.070 Uiso 0.826(7) 1 calc R U P A 1
H20C H 0.299306 0.127444 0.574253 0.070 Uiso 0.826(7) 1 calc R U P A 1
C21 C 0.4923(8) 0.1863(3) 0.5808(3) 0.0321(15) Uani 0.826(7) 1 d D U P A 1
C22 C 0.5522(8) 0.2273(4) 0.5330(3) 0.0268(15) Uani 0.826(7) 1 d D U P A 1
C23 C 0.7113(8) 0.2248(3) 0.5407(3) 0.0295(14) Uani 0.826(7) 1 d D U P A 1
H23A H 0.768382 0.250142 0.512227 0.035 Uiso 0.826(7) 1 calc R U P A 1
C24 C 0.7713(7) 0.1826(3) 0.5929(3) 0.0344(15) Uani 0.826(7) 1 d D U P A 1
C25 C 0.9332(8) 0.1670(4) 0.6154(4) 0.0437(18) Uani 0.826(7) 1 d D U P A 1
H25A H 0.993010 0.188974 0.583952 0.066 Uiso 0.826(7) 1 calc R U P A 1
H25B H 0.949376 0.113990 0.617030 0.066 Uiso 0.826(7) 1 calc R U P A 1
H25C H 0.960478 0.187898 0.659451 0.066 Uiso 0.826(7) 1 calc R U P A 1
C20A C 0.783(3) 0.2346(18) 0.5346(18) 0.032(7) Uani 0.174(7) 1 d D U P A 2
H20D H 0.762454 0.240284 0.486448 0.047 Uiso 0.174(7) 1 calc R U P A 2
H20E H 0.859502 0.197705 0.544792 0.047 Uiso 0.174(7) 1 calc R U P A 2
H20F H 0.816243 0.281419 0.554458 0.047 Uiso 0.174(7) 1 calc R U P A 2
C21A C 0.647(3) 0.2108(14) 0.5621(12) 0.025(5) Uani 0.174(7) 1 d D U P A 2
C22A C 0.504(3) 0.225(2) 0.5405(13) 0.023(5) Uani 0.174(7) 1 d D U P A 2
C23A C 0.399(3) 0.1885(14) 0.5779(12) 0.022(5) Uani 0.174(7) 1 d D U P A 2
H23B H 0.296865 0.193671 0.567807 0.027 Uiso 0.174(7) 1 calc R U P A 2
C24A C 0.464(2) 0.1457(13) 0.6293(11) 0.027(5) Uani 0.174(7) 1 d D U P A 2
C25A C 0.379(4) 0.1029(17) 0.6777(14) 0.040(7) Uani 0.174(7) 1 d D U P A 2
H25D H 0.297173 0.077050 0.652839 0.060 Uiso 0.174(7) 1 calc R U P A 2
H25E H 0.342226 0.136957 0.708931 0.060 Uiso 0.174(7) 1 calc R U P A 2
H25F H 0.444558 0.067377 0.702219 0.060 Uiso 0.174(7) 1 calc R U P A 2
C26 C 0.5057(7) 0.0867(3) 0.4241(3) 0.0426(14) Uani 1 1 d . . . . .
H26A H 0.519722 0.033627 0.423288 0.064 Uiso 1 1 calc R U . . .
H26B H 0.540369 0.108590 0.384921 0.064 Uiso 1 1 calc R U . . .
H26C H 0.560827 0.107030 0.464148 0.064 Uiso 1 1 calc R U . . .
C27 C 0.3447(6) 0.1036(3) 0.4241(2) 0.0301(11) Uani 1 1 d . . . . .
C28 C 0.2748(6) 0.1710(3) 0.4251(2) 0.0292(11) Uani 1 1 d . . . . .
C29 C 0.1146(6) 0.1631(3) 0.4245(2) 0.0326(11) Uani 1 1 d . . . . .
H29A H 0.050586 0.203649 0.424992 0.039 Uiso 1 1 calc R U . . .
C30 C 0.0671(6) 0.0921(3) 0.4231(3) 0.0367(12) Uani 1 1 d . . . . .
C31 C -0.0882(7) 0.0633(3) 0.4227(3) 0.0502(15) Uani 1 1 d . . . . .
H31A H -0.087194 0.009754 0.421648 0.075 Uiso 1 1 calc R U . . .
H31B H -0.127813 0.079908 0.462735 0.075 Uiso 1 1 calc R U . . .
H31C H -0.149297 0.081836 0.383514 0.075 Uiso 1 1 calc R U . . .
C32 C 0.2263(6) 0.2909(3) 0.3187(2) 0.0340(12) Uani 1 1 d . . . . .
H32A H 0.170999 0.245252 0.319893 0.051 Uiso 1 1 calc R U . . .
H32B H 0.158606 0.332379 0.314539 0.051 Uiso 1 1 calc R U . . .
H32C H 0.282110 0.290148 0.280641 0.051 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 C1 2.002(5) . ?
Pt1 N1 2.010(4) . ?
Pt1 N2 2.040(4) . ?
Pt1 N3 2.111(4) . ?
S1 C27 1.723(5) . ?
S1 C30 1.732(6) . ?
S2 C24 1.721(7) . ?
S2 C21 1.725(7) . ?
S2A C21A 1.713(19) . ?
S2A C24A 1.749(18) . ?
P1 F7 1.541(6) . ?
P1 F8 1.543(5) . ?
P1 F4 1.551(5) . ?
P1 F6 1.563(4) . ?
P1 F5 1.566(4) . ?
P1 F3 1.592(4) . ?
F1 C3 1.353(6) . ?
F2 C5 1.376(6) . ?
N1 C11 1.342(7) . ?
N1 C7 1.366(7) . ?
N2 C12 1.337(6) . ?
N2 C16 1.382(7) . ?
N3 C17 1.346(6) . ?
N3 C18 1.381(6) . ?
N4 C17 1.358(6) . ?
N4 C19 1.385(6) . ?
N4 C32 1.467(6) . ?
C1 C2 1.374(7) . ?
C1 C6 1.424(7) . ?
C2 C3 1.380(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.369(9) . ?
C4 C5 1.363(8) . ?
C4 H4A 0.9300 . ?
C5 C6 1.396(7) . ?
C6 C7 1.461(7) . ?
C7 C8 1.382(7) . ?
C8 C9 1.398(9) . ?
C8 H8A 0.9300 . ?
C9 C10 1.386(9) . ?
C9 H9A 0.9300 . ?
C10 C11 1.391(7) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C12 C13 1.371(8) . ?
C12 H12A 0.9300 . ?
C13 C14 1.355(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.399(8) . ?
C14 H14A 0.9300 . ?
C15 C16 1.376(7) . ?
C15 H15A 0.9300 . ?
C16 C17 1.443(6) . ?
C18 C19 1.369(7) . ?
C18 C22 1.481(7) . ?
C18 C22A 1.488(18) . ?
C19 C28 1.471(7) . ?
C20 C21 1.496(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.366(8) . ?
C22 C23 1.429(9) . ?
C23 C24 1.345(8) . ?
C23 H23A 0.9300 . ?
C24 C25 1.505(8) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C20A C21A 1.468(18) . ?
C20A H20D 0.9600 . ?
C20A H20E 0.9600 . ?
C20A H20F 0.9600 . ?
C21A C22A 1.337(18) . ?
C22A C23A 1.433(19) . ?
C23A C24A 1.353(18) . ?
C23A H23B 0.9300 . ?
C24A C25A 1.511(18) . ?
C25A H25D 0.9600 . ?
C25A H25E 0.9600 . ?
C25A H25F 0.9600 . ?
C26 C27 1.486(7) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.364(7) . ?
C28 C29 1.454(7) . ?
C29 C30 1.342(7) . ?
C29 H29A 0.9300 . ?
C30 C31 1.494(8) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 N1 79.75(19) . . ?
C1 Pt1 N2 101.30(18) . . ?
N1 Pt1 N2 178.32(18) . . ?
C1 Pt1 N3 176.99(17) . . ?
N1 Pt1 N3 101.14(16) . . ?
N2 Pt1 N3 77.88(15) . . ?
C27 S1 C30 93.5(3) . . ?
C24 S2 C21 93.3(4) . . ?
C21A S2A C24A 94.3(16) . . ?
F7 P1 F8 91.5(5) . . ?
F7 P1 F4 177.6(4) . . ?
F8 P1 F4 90.2(4) . . ?
F7 P1 F6 89.3(3) . . ?
F8 P1 F6 91.4(3) . . ?
F4 P1 F6 92.4(3) . . ?
F7 P1 F5 90.8(4) . . ?
F8 P1 F5 177.7(4) . . ?
F4 P1 F5 87.5(3) . . ?
F6 P1 F5 88.2(2) . . ?
F7 P1 F3 88.9(3) . . ?
F8 P1 F3 89.9(3) . . ?
F4 P1 F3 89.4(3) . . ?
F6 P1 F3 177.8(3) . . ?
F5 P1 F3 90.5(2) . . ?
C11 N1 C7 118.8(4) . . ?
C11 N1 Pt1 124.1(3) . . ?
C7 N1 Pt1 117.1(3) . . ?
C12 N2 C16 117.7(4) . . ?
C12 N2 Pt1 127.2(4) . . ?
C16 N2 Pt1 115.0(3) . . ?
C17 N3 C18 107.4(4) . . ?
C17 N3 Pt1 109.9(3) . . ?
C18 N3 Pt1 142.6(3) . . ?
C17 N4 C19 107.9(4) . . ?
C17 N4 C32 127.6(4) . . ?
C19 N4 C32 124.1(4) . . ?
C2 C1 C6 117.3(5) . . ?
C2 C1 Pt1 130.5(4) . . ?
C6 C1 Pt1 112.2(4) . . ?
C1 C2 C3 121.0(5) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
F1 C3 C4 117.6(6) . . ?
F1 C3 C2 118.8(6) . . ?
C4 C3 C2 123.6(5) . . ?
C5 C4 C3 115.2(5) . . ?
C5 C4 H4A 122.4 . . ?
C3 C4 H4A 122.4 . . ?
C4 C5 F2 117.2(5) . . ?
C4 C5 C6 124.6(6) . . ?
F2 C5 C6 118.1(5) . . ?
C5 C6 C1 118.1(5) . . ?
C5 C6 C7 125.0(5) . . ?
C1 C6 C7 116.3(5) . . ?
N1 C7 C8 121.4(5) . . ?
N1 C7 C6 110.6(4) . . ?
C8 C7 C6 127.8(5) . . ?
C7 C8 C9 118.2(6) . . ?
C7 C8 H8A 120.9 . . ?
C9 C8 H8A 120.9 . . ?
C10 C9 C8 120.7(5) . . ?
C10 C9 H9A 119.6 . . ?
C8 C9 H9A 119.6 . . ?
C9 C10 C11 117.3(6) . . ?
C9 C10 H10A 121.4 . . ?
C11 C10 H10A 121.4 . . ?
N1 C11 C10 123.0(5) . . ?
N1 C11 H11A 118.5 . . ?
C10 C11 H11A 118.5 . . ?
N2 C12 C13 122.7(6) . . ?
N2 C12 H12A 118.6 . . ?
C13 C12 H12A 118.6 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 H13A 120.1 . . ?
C12 C13 H13A 120.1 . . ?
C13 C14 C15 119.2(5) . . ?
C13 C14 H14A 120.4 . . ?
C15 C14 H14A 120.4 . . ?
C16 C15 C14 118.7(6) . . ?
C16 C15 H15A 120.6 . . ?
C14 C15 H15A 120.6 . . ?
C15 C16 N2 121.3(5) . . ?
C15 C16 C17 126.7(5) . . ?
N2 C16 C17 111.6(4) . . ?
N3 C17 N4 109.4(4) . . ?
N3 C17 C16 119.1(5) . . ?
N4 C17 C16 129.8(4) . . ?
C19 C18 N3 108.5(4) . . ?
C19 C18 C22 129.5(5) . . ?
N3 C18 C22 121.0(5) . . ?
C19 C18 C22A 119.6(14) . . ?
N3 C18 C22A 131.4(15) . . ?
C18 C19 N4 106.8(4) . . ?
C18 C19 C28 130.0(4) . . ?
N4 C19 C28 123.2(4) . . ?
C21 C20 H20A 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C20 129.6(6) . . ?
C22 C21 S2 109.8(5) . . ?
C20 C21 S2 120.5(5) . . ?
C21 C22 C23 112.7(6) . . ?
C21 C22 C18 124.7(6) . . ?
C23 C22 C18 122.5(5) . . ?
C24 C23 C22 114.1(7) . . ?
C24 C23 H23A 123.0 . . ?
C22 C23 H23A 123.0 . . ?
C23 C24 C25 128.5(6) . . ?
C23 C24 S2 110.1(6) . . ?
C25 C24 S2 121.5(5) . . ?
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 . . ?
C21A C20A H20D 109.5 . . ?
C21A C20A H20E 109.5 . . ?
H20D C20A H20E 109.5 . . ?
C21A C20A H20F 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C22A C21A C20A 130(2) . . ?
C22A C21A S2A 108.8(19) . . ?
C20A C21A S2A 121(2) . . ?
C21A C22A C23A 115(2) . . ?
C21A C22A C18 119.9(19) . . ?
C23A C22A C18 125.0(19) . . ?
C24A C23A C22A 114(2) . . ?
C24A C23A H23B 123.1 . . ?
C22A C23A H23B 123.1 . . ?
C23A C24A C25A 125(2) . . ?
C23A C24A S2A 108(2) . . ?
C25A C24A S2A 127(2) . . ?
C24A C25A H25D 109.5 . . ?
C24A C25A H25E 109.5 . . ?
H25D C25A H25E 109.5 . . ?
C24A C25A H25F 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C27 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C26 129.4(5) . . ?
C28 C27 S1 110.4(4) . . ?
C26 C27 S1 120.1(4) . . ?
C27 C28 C29 112.1(4) . . ?
C27 C28 C19 123.8(5) . . ?
C29 C28 C19 124.1(4) . . ?
C30 C29 C28 114.1(5) . . ?
C30 C29 H29A 122.9 . . ?
C28 C29 H29A 122.9 . . ?
C29 C30 C31 128.7(5) . . ?
C29 C30 S1 109.9(4) . . ?
C31 C30 S1 121.4(4) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N4 C32 H32A 109.5 . . ?
N4 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N4 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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 4.9(7) . . . . ?
Pt1 C1 C2 C3 -174.1(4) . . . . ?
C1 C2 C3 F1 178.4(5) . . . . ?
C1 C2 C3 C4 -2.6(8) . . . . ?
F1 C3 C4 C5 177.6(5) . . . . ?
C2 C3 C4 C5 -1.4(8) . . . . ?
C3 C4 C5 F2 -173.8(5) . . . . ?
C3 C4 C5 C6 3.0(8) . . . . ?
C4 C5 C6 C1 -0.7(8) . . . . ?
F2 C5 C6 C1 176.1(4) . . . . ?
C4 C5 C6 C7 -171.4(5) . . . . ?
F2 C5 C6 C7 5.4(8) . . . . ?
C2 C1 C6 C5 -3.3(7) . . . . ?
Pt1 C1 C6 C5 175.8(4) . . . . ?
C2 C1 C6 C7 168.2(4) . . . . ?
Pt1 C1 C6 C7 -12.7(6) . . . . ?
C11 N1 C7 C8 9.4(7) . . . . ?
Pt1 N1 C7 C8 -167.8(4) . . . . ?
C11 N1 C7 C6 -166.2(4) . . . . ?
Pt1 N1 C7 C6 16.6(5) . . . . ?
C5 C6 C7 N1 168.6(5) . . . . ?
C1 C6 C7 N1 -2.2(6) . . . . ?
C5 C6 C7 C8 -6.6(9) . . . . ?
C1 C6 C7 C8 -177.4(5) . . . . ?
N1 C7 C8 C9 -6.6(8) . . . . ?
C6 C7 C8 C9 168.2(5) . . . . ?
C7 C8 C9 C10 -0.3(9) . . . . ?
C8 C9 C10 C11 4.1(9) . . . . ?
C7 N1 C11 C10 -5.3(7) . . . . ?
Pt1 N1 C11 C10 171.6(4) . . . . ?
C9 C10 C11 N1 -1.3(8) . . . . ?
C16 N2 C12 C13 5.5(7) . . . . ?
Pt1 N2 C12 C13 -170.6(4) . . . . ?
N2 C12 C13 C14 0.5(9) . . . . ?
C12 C13 C14 C15 -4.1(9) . . . . ?
C13 C14 C15 C16 1.7(9) . . . . ?
C14 C15 C16 N2 4.4(8) . . . . ?
C14 C15 C16 C17 -168.2(5) . . . . ?
C12 N2 C16 C15 -7.9(7) . . . . ?
Pt1 N2 C16 C15 168.7(4) . . . . ?
C12 N2 C16 C17 165.7(4) . . . . ?
Pt1 N2 C16 C17 -17.7(5) . . . . ?
C18 N3 C17 N4 2.1(5) . . . . ?
Pt1 N3 C17 N4 -173.9(3) . . . . ?
C18 N3 C17 C16 -164.7(4) . . . . ?
Pt1 N3 C17 C16 19.3(5) . . . . ?
C19 N4 C17 N3 -2.1(5) . . . . ?
C32 N4 C17 N3 -175.6(4) . . . . ?
C19 N4 C17 C16 162.8(5) . . . . ?
C32 N4 C17 C16 -10.7(8) . . . . ?
C15 C16 C17 N3 171.2(5) . . . . ?
N2 C16 C17 N3 -1.9(6) . . . . ?
C15 C16 C17 N4 7.5(9) . . . . ?
N2 C16 C17 N4 -165.7(5) . . . . ?
C17 N3 C18 C19 -1.3(5) . . . . ?
Pt1 N3 C18 C19 172.5(4) . . . . ?
C17 N3 C18 C22 168.1(5) . . . . ?
Pt1 N3 C18 C22 -18.0(8) . . . . ?
C17 N3 C18 C22A -172.8(17) . . . . ?
Pt1 N3 C18 C22A 1.1(18) . . . . ?
N3 C18 C19 N4 0.0(5) . . . . ?
C22 C18 C19 N4 -168.2(5) . . . . ?
C22A C18 C19 N4 172.7(15) . . . . ?
N3 C18 C19 C28 177.2(5) . . . . ?
C22 C18 C19 C28 8.9(9) . . . . ?
C22A C18 C19 C28 -10.2(17) . . . . ?
C17 N4 C19 C18 1.2(5) . . . . ?
C32 N4 C19 C18 175.0(4) . . . . ?
C17 N4 C19 C28 -176.1(4) . . . . ?
C32 N4 C19 C28 -2.4(7) . . . . ?
C24 S2 C21 C22 0.0(6) . . . . ?
C24 S2 C21 C20 -179.0(6) . . . . ?
C20 C21 C22 C23 178.7(7) . . . . ?
S2 C21 C22 C23 -0.2(8) . . . . ?
C20 C21 C22 C18 -3.4(12) . . . . ?
S2 C21 C22 C18 177.7(6) . . . . ?
C19 C18 C22 C21 -53.4(10) . . . . ?
N3 C18 C22 C21 139.6(7) . . . . ?
C19 C18 C22 C23 124.3(7) . . . . ?
N3 C18 C22 C23 -42.7(9) . . . . ?
C21 C22 C23 C24 0.3(9) . . . . ?
C18 C22 C23 C24 -177.6(6) . . . . ?
C22 C23 C24 C25 179.4(6) . . . . ?
C22 C23 C24 S2 -0.3(8) . . . . ?
C21 S2 C24 C23 0.2(6) . . . . ?
C21 S2 C24 C25 -179.6(6) . . . . ?
C24A S2A C21A C22A 8(3) . . . . ?
C24A S2A C21A C20A -174(3) . . . . ?
C20A C21A C22A C23A 176(3) . . . . ?
S2A C21A C22A C23A -6(4) . . . . ?
C20A C21A C22A C18 3(5) . . . . ?
S2A C21A C22A C18 -179(3) . . . . ?
C19 C18 C22A C21A 133(3) . . . . ?
N3 C18 C22A C21A -57(4) . . . . ?
C19 C18 C22A C23A -39(4) . . . . ?
N3 C18 C22A C23A 131(3) . . . . ?
C21A C22A C23A C24A 0(4) . . . . ?
C18 C22A C23A C24A 173(3) . . . . ?
C22A C23A C24A C25A 178(3) . . . . ?
C22A C23A C24A S2A 6(3) . . . . ?
C21A S2A C24A C23A -8(3) . . . . ?
C21A S2A C24A C25A 180(3) . . . . ?
C30 S1 C27 C28 0.1(4) . . . . ?
C30 S1 C27 C26 -179.8(4) . . . . ?
C26 C27 C28 C29 179.8(5) . . . . ?
S1 C27 C28 C29 -0.1(5) . . . . ?
C26 C27 C28 C19 -3.1(8) . . . . ?
S1 C27 C28 C19 177.0(4) . . . . ?
C18 C19 C28 C27 -56.0(8) . . . . ?
N4 C19 C28 C27 120.8(6) . . . . ?
C18 C19 C28 C29 120.7(6) . . . . ?
N4 C19 C28 C29 -62.5(7) . . . . ?
C27 C28 C29 C30 0.0(6) . . . . ?
C19 C28 C29 C30 -177.0(5) . . . . ?
C28 C29 C30 C31 179.5(5) . . . . ?
C28 C29 C30 S1 0.0(6) . . . . ?
C27 S1 C30 C29 -0.1(4) . . . . ?
C27 S1 C30 C31 -179.5(5) . . . . ?

_refine_diff_density_max         1.011
_refine_diff_density_min         -1.266
_refine_diff_density_rms         0.140

