# Supplementary Information (SI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_Pt-Cl-Rh2-nbd
_database_code_depnum_ccdc_archive 'CCDC 2411823'
loop_
_audit_author_name
_audit_author_address
'Tanaka R.'
;Osaka Metropolitan University
Japan
;
_audit_update_record             
;
2024-12-20 deposited with the CCDC.	2025-01-31 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_Pt-Cl-Rh2-nbd       
;
PROBLEM: Check Calcd Resid. Dens.  2.57Ang From C50             2.85 eA-3
RESPONSE: A slightly larger residual density remained due to the huge positional disorder of the toluene molecule for crystallization.
;
_vrf_PLAT971_Pt-Cl-Rh2-nbd_2     
;
PROBLEM: Check Calcd Resid. Dens.  0.97Ang From Pt2             2.53 eA-3
RESPONSE: A slightly larger residual density remained near one of the heavy metal.
;
# Added during the CSD deposition process: Friday 20 December 2024 05:13 AM
# end Validation Reply Form


_audit_creation_date             2024-10-29
_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
#-----------------------------------------------------------------------------#

_chemical_formula_moiety         'C46 H56 N8 Pt2 Rh4 S4, 2Cl, C7 H8 [+ solvent]'
_chemical_formula_sum            'C53 H64 Cl2 N8 Pt2 Rh4 S4 [+ solvent]'
_chemical_formula_weight         1814.08

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'
N N 0.0061 0.0033 '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'
Rh Rh -1.1178 0.9187 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

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

_cell_length_a                   11.5306(2)
_cell_length_b                   15.1580(3)
_cell_length_c                   18.8117(4)
_cell_angle_alpha                99.366(2)
_cell_angle_beta                 95.802(2)
_cell_angle_gamma                108.839(2)
_cell_volume                     3028.46(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    24817
_cell_measurement_theta_min      1.9270
_cell_measurement_theta_max      31.0030

_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.010
_exptl_crystal_description       Block
_exptl_crystal_colour            'Dark Green'
_exptl_crystal_preparation       
'mounted on the CryoLoop with Palaton oil and placed in N2 stream at 100(2) K'
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_F_000             1744
_exptl_special_details           ?

_exptl_absorpt_coefficient_mu    5.934
_shelx_estimated_absorpt_T_min   0.399
_shelx_estimated_absorpt_T_max   0.943
_exptl_absorpt_correction_T_min  0.57990
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.681
_oxdiff_exptl_absorpt_empirical_full_max 1.591
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;

# EXPERIMENTAL DATA
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_detector       CCD
_diffrn_measurement_method       ω
_diffrn_measurement_device       'Saturn724+ (4x4 bin mode)'
_diffrn_measurement_device_type  'Rigaku AFC11 with Saturn 724+ CCD'
_diffrn_measurement_device_details 'AFC11 (Right): Eulerian 3 circle'
_diffrn_detector_area_resol_mean 7.111
_diffrn_ambient_temperature      100(2)
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_diffrn_source_current           24.0000

_diffrn_reflns_number            31574
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_min         2.003
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.996

_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00  65.00   0.50    4.00    --  -25.00  45.00   0.00  360
  2  ω   -115.00  65.00   0.50    4.00    --  -25.00  45.00  90.00  360
  3  ω   -115.00  65.00   0.50    4.00    --  -25.00  45.00 180.00  360
;

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'


#--------- REFINEMENT INFORMATION ------------------
_reflns_number_total             13774
_reflns_number_gt                11560
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0407P)²+10.1254P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         13774
_refine_ls_number_parameters     726
_refine_ls_number_restraints     85
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0352
_refine_ls_wR_factor_ref         0.0867
_refine_ls_wR_factor_gt          0.0828
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

_refine_diff_density_max         2.772
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.194

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


#---------ATOMIC TYPES, 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
Pt1 Pt 0.26277(2) 0.86442(2) 0.32085(2) 0.01112(6) Uani 1 1 d . . . . .
Pt2 Pt 0.25617(2) 0.69415(2) 0.15124(2) 0.01115(6) Uani 1 1 d . . . . .
Rh1 Rh 0.51352(4) 0.97791(3) 0.33325(2) 0.01133(9) Uani 1 1 d . . . . .
Rh2 Rh 0.44388(4) 0.91508(3) 0.18452(2) 0.01066(9) Uani 1 1 d . . . . .
Rh3 Rh 0.16527(4) 0.89398(3) 0.15729(2) 0.01065(9) Uani 1 1 d . . . . .
Rh4 Rh 0.05252(4) 0.71460(3) 0.06945(2) 0.01181(9) Uani 1 1 d . . . . .
S1 S 0.42362(12) 0.82281(9) 0.27383(7) 0.0119(3) Uani 1 1 d . . . . .
S2 S 0.34495(12) 0.99279(9) 0.26382(7) 0.0119(3) Uani 1 1 d . . . . .
S3 S 0.26004(12) 0.80931(9) 0.08128(7) 0.0122(3) Uani 1 1 d . . . . .
S4 S 0.10028(12) 0.74751(9) 0.19365(7) 0.0124(3) Uani 1 1 d . . . . .
C1 C 0.1962(5) 0.7539(4) 0.3684(3) 0.0146(11) Uani 1 1 d . . . . .
N1 N 0.2486(5) 0.7019(3) 0.4016(3) 0.0171(10) Uani 1 1 d . . . . .
C2 C 0.1610(6) 0.6326(4) 0.4254(3) 0.0227(14) Uani 1 1 d . . . . .
H2A H 0.175373 0.585339 0.449013 0.027 Uiso 1 1 calc R U . . .
C3 C 0.0547(6) 0.6436(4) 0.4096(3) 0.0238(14) Uani 1 1 d . . . . .
H3A H -0.022815 0.606670 0.420330 0.029 Uiso 1 1 calc R U . . .
N2 N 0.0757(4) 0.7189(3) 0.3743(3) 0.0167(10) Uani 1 1 d . . . . .
C4 C 0.3808(5) 0.7166(4) 0.4149(3) 0.0195(13) Uani 1 1 d . . . . .
H4A H 0.397530 0.666093 0.382663 0.029 Uiso 1 1 calc R U . . .
H4B H 0.405650 0.715021 0.465954 0.029 Uiso 1 1 calc R U . . .
H4C H 0.428080 0.778652 0.405195 0.029 Uiso 1 1 calc R U . . .
C5 C -0.0158(5) 0.7551(4) 0.3469(3) 0.0178(12) Uani 1 1 d . . . . .
H5A H -0.094324 0.726403 0.364932 0.021 Uiso 1 1 calc R U . . .
H5B H -0.032315 0.737836 0.292863 0.021 Uiso 1 1 calc R U . . .
C6 C 0.1412(5) 0.9141(4) 0.3658(3) 0.0149(12) Uani 1 1 d . . . . .
N3 N 0.0273(4) 0.8574(4) 0.3706(3) 0.0165(10) Uani 1 1 d . . . . .
C7 C -0.0387(6) 0.9103(5) 0.4007(3) 0.0235(14) Uani 1 1 d . . . . .
H7A H -0.121973 0.886779 0.409233 0.028 Uiso 1 1 calc R U . . .
C8 C 0.0346(6) 0.9991(5) 0.4156(3) 0.0223(13) Uani 1 1 d . . . . .
H8A H 0.014434 1.052546 0.436448 0.027 Uiso 1 1 calc R U . . .
N4 N 0.1463(5) 1.0009(3) 0.3955(3) 0.0184(11) Uani 1 1 d . . . . .
C9 C 0.2520(6) 1.0872(4) 0.4071(3) 0.0218(13) Uani 1 1 d . . . . .
H9A H 0.327688 1.071434 0.404933 0.033 Uiso 1 1 calc R U . . .
H9B H 0.258069 1.126332 0.455238 0.033 Uiso 1 1 calc R U . . .
H9C H 0.242207 1.122791 0.369207 0.033 Uiso 1 1 calc R U . . .
N5 N 0.3980(4) 0.6366(3) 0.0349(3) 0.0157(10) Uani 1 1 d . . . . .
C10 C 0.3775(5) 0.6480(4) 0.1032(3) 0.0129(11) Uani 1 1 d . . . . .
N6 N 0.4633(4) 0.6228(3) 0.1403(3) 0.0158(10) Uani 1 1 d . . . . .
C11 C 0.5408(6) 0.5997(4) 0.0950(4) 0.0221(13) Uani 1 1 d . . . . .
H11A H 0.609733 0.581064 0.108238 0.027 Uiso 1 1 calc R U . . .
C12 C 0.4998(6) 0.6089(4) 0.0298(4) 0.0228(13) Uani 1 1 d . . . . .
H12A H 0.534406 0.598276 -0.013175 0.027 Uiso 1 1 calc R U . . .
C13 C 0.3249(6) 0.6497(5) -0.0272(3) 0.0228(14) Uani 1 1 d . . . . .
H13A H 0.243763 0.648463 -0.015073 0.034 Uiso 1 1 calc R U . . .
H13B H 0.313234 0.598413 -0.069230 0.034 Uiso 1 1 calc R U . . .
H13C H 0.368288 0.711273 -0.039109 0.034 Uiso 1 1 calc R U . . .
C14 C 0.4731(5) 0.6213(4) 0.2169(3) 0.0156(12) Uani 1 1 d . . . . .
H14A H 0.528461 0.586190 0.229738 0.019 Uiso 1 1 calc R U . . .
H14B H 0.508854 0.687232 0.246151 0.019 Uiso 1 1 calc R U . . .
C15 C 0.2504(5) 0.5957(4) 0.2106(3) 0.0154(12) Uani 1 1 d . . . . .
N7 N 0.3514(5) 0.5755(3) 0.2328(3) 0.0169(10) Uani 1 1 d . . . . .
C16 C 0.3226(6) 0.5069(4) 0.2734(3) 0.0221(13) Uani 1 1 d . . . . .
H16A H 0.378404 0.481122 0.295604 0.027 Uiso 1 1 calc R U . . .
C17 C 0.2037(6) 0.4833(4) 0.2762(3) 0.0234(14) Uani 1 1 d . . . . .
H17A H 0.156818 0.437130 0.300621 0.028 Uiso 1 1 calc R U . . .
N8 N 0.1599(5) 0.5380(3) 0.2370(3) 0.0176(10) Uani 1 1 d . . . . .
C18 C 0.0281(6) 0.5257(4) 0.2223(3) 0.0211(13) Uani 1 1 d . . . . .
H18A H 0.017216 0.572946 0.194914 0.032 Uiso 1 1 calc R U . . .
H18B H -0.002849 0.534420 0.268671 0.032 Uiso 1 1 calc R U . . .
H18C H -0.018347 0.461472 0.193622 0.032 Uiso 1 1 calc R U . . .
C19 C 0.6309(5) 0.9705(4) 0.4244(3) 0.0171(12) Uani 1 1 d . . . . .
H19A H 0.580759 0.911918 0.434418 0.021 Uiso 1 1 calc R U . . .
C20 C 0.6539(5) 1.0697(4) 0.4681(3) 0.0193(13) Uani 1 1 d . . . . .
H20A H 0.634972 1.075033 0.519002 0.023 Uiso 1 1 calc R U . . .
C21 C 0.5841(6) 1.1070(4) 0.4149(3) 0.0195(13) Uani 1 1 d . . . . .
H21A H 0.509544 1.119769 0.419895 0.023 Uiso 1 1 calc R U . . .
C22 C 0.6487(5) 1.1188(4) 0.3585(3) 0.0182(12) Uani 1 1 d . . . . .
H22A H 0.628116 1.141264 0.316408 0.022 Uiso 1 1 calc R U . . .
C23 C 0.7607(5) 1.0888(4) 0.3762(3) 0.0176(12) Uani 1 1 d . . . . .
H23A H 0.831635 1.110627 0.349153 0.021 Uiso 1 1 calc R U . . .
C24 C 0.6966(5) 0.9818(4) 0.3677(3) 0.0152(12) Uani 1 1 d . . . . .
H24A H 0.701267 0.932832 0.330664 0.018 Uiso 1 1 calc R U . . .
C25 C 0.7867(6) 1.1210(4) 0.4586(3) 0.0202(13) Uani 1 1 d . . . . .
H25A H 0.813013 1.191032 0.474826 0.024 Uiso 1 1 calc R U . . .
H25B H 0.847242 1.096684 0.482364 0.024 Uiso 1 1 calc R U . . .
C26 C 0.6302(5) 0.9226(4) 0.1741(3) 0.0150(12) Uani 1 1 d . . . . .
H26A H 0.650212 0.901574 0.217049 0.018 Uiso 1 1 calc R U . . .
C27 C 0.6759(5) 1.0247(4) 0.1624(3) 0.0159(12) Uani 1 1 d . . . . .
H27A H 0.751022 1.071102 0.196253 0.019 Uiso 1 1 calc R U . . .
C28 C 0.5567(5) 1.0467(4) 0.1609(3) 0.0172(12) Uani 1 1 d . . . . .
H28A H 0.538166 1.089548 0.196958 0.021 Uiso 1 1 calc R U . . .
C29 C 0.4806(6) 0.9923(4) 0.0972(3) 0.0175(12) Uani 1 1 d . . . . .
H29A H 0.399565 0.990926 0.079913 0.021 Uiso 1 1 calc R U . . .
C30 C 0.5522(5) 0.9347(4) 0.0597(3) 0.0149(11) Uani 1 1 d . . . . .
H30A H 0.522495 0.905546 0.006600 0.018 Uiso 1 1 calc R U . . .
C31 C 0.5553(5) 0.8676(4) 0.1111(3) 0.0149(12) Uani 1 1 d . . . . .
H31A H 0.513424 0.800630 0.101198 0.018 Uiso 1 1 calc R U . . .
C32 C 0.6840(5) 1.0062(4) 0.0813(3) 0.0177(12) Uani 1 1 d . . . . .
H32A H 0.696265 1.063533 0.060041 0.021 Uiso 1 1 calc R U . . .
H32B H 0.747797 0.977629 0.070135 0.021 Uiso 1 1 calc R U . . .
C33 C 0.2054(5) 1.0329(4) 0.1298(3) 0.0170(12) Uani 1 1 d . . . . .
H33A H 0.293490 1.053666 0.136201 0.020 Uiso 1 1 calc R U . . .
C34 C 0.1275(6) 1.0684(4) 0.1800(3) 0.0191(13) Uani 1 1 d . . . . .
H34A H 0.169799 1.130701 0.215070 0.023 Uiso 1 1 calc R U . . .
C35 C 0.0713(5) 0.9819(4) 0.2121(3) 0.0149(11) Uani 1 1 d . . . . .
H35A H 0.088936 0.976044 0.261205 0.018 Uiso 1 1 calc R U . . .
C36 C -0.0100(5) 0.9140(4) 0.1562(3) 0.0161(12) Uani 1 1 d . . . . .
H36A H -0.059505 0.851288 0.158847 0.019 Uiso 1 1 calc R U . . .
C37 C -0.0060(5) 0.9581(4) 0.0889(3) 0.0165(12) Uani 1 1 d . . . . .
H37A H -0.076193 0.926924 0.047089 0.020 Uiso 1 1 calc R U . . .
C38 C 0.1255(5) 0.9665(4) 0.0747(3) 0.0160(12) Uani 1 1 d . . . . .
H38A H 0.146472 0.931437 0.034469 0.019 Uiso 1 1 calc R U . . .
C39 C 0.0182(6) 1.0617(4) 0.1246(3) 0.0214(13) Uani 1 1 d . . . . .
H39A H 0.041694 1.105721 0.090809 0.026 Uiso 1 1 calc R U . . .
H39B H -0.052040 1.070358 0.147559 0.026 Uiso 1 1 calc R U . . .
C40 C -0.0252(5) 0.7230(4) -0.0355(3) 0.0178(12) Uani 1 1 d . . . . .
H40A H 0.028375 0.784431 -0.038388 0.021 Uiso 1 1 calc R U . . .
C41 C -0.1583(6) 0.6962(5) -0.0225(3) 0.0229(14) Uani 1 1 d . . . . .
H41A H -0.202831 0.741292 -0.030838 0.027 Uiso 1 1 calc R U . . .
C42 C -0.1429(5) 0.6769(4) 0.0538(3) 0.0205(13) Uani 1 1 d . . . . .
H42A H -0.150687 0.714593 0.097410 0.025 Uiso 1 1 calc R U . . .
C43 C -0.1154(5) 0.5943(4) 0.0479(3) 0.0176(12) Uani 1 1 d . . . . .
H43A H -0.100998 0.563291 0.086104 0.021 Uiso 1 1 calc R U . . .
C44 C -0.1132(6) 0.5631(4) -0.0336(3) 0.0209(13) Uani 1 1 d . . . . .
H44A H -0.119390 0.495657 -0.051354 0.025 Uiso 1 1 calc R U . . .
C45 C 0.0029(6) 0.6407(4) -0.0425(3) 0.0174(12) Uani 1 1 d . . . . .
H45A H 0.079693 0.633862 -0.051069 0.021 Uiso 1 1 calc R U . . .
C46 C -0.2131(6) 0.5954(4) -0.0681(4) 0.0231(14) Uani 1 1 d . . . . .
H46A H -0.297009 0.560276 -0.058898 0.028 Uiso 1 1 calc R U . . .
H46B H -0.213751 0.593004 -0.121016 0.028 Uiso 1 1 calc R U . . .
Cl1 Cl 0.67623(18) 0.73246(13) 0.40056(12) 0.0280(5) Uani 0.813(3) 1 d . . P .
.
Cl2 Cl 0.7383(3) 0.5312(3) 0.20956(16) 0.0380(8) Uani 0.601(3) 1 d . . P . .
Cl3 Cl 0.7542(5) 0.7508(4) 0.2407(3) 0.0388(14) Uani 0.337(3) 1 d . . P A 5
Cl4 Cl 0.7355(8) 0.5450(5) 0.3672(5) 0.044(2) Uani 0.248(3) 1 d . . P . .
C47 C -0.1254(8) 0.2937(7) 0.2605(5) 0.045(3) Uani 0.626(11) 1 d G U P B 1
C48 C -0.1370(10) 0.3442(8) 0.3264(6) 0.060(5) Uani 0.626(11) 1 d G U P B 1
H48A H -0.199648 0.372350 0.328025 0.071 Uiso 0.626(11) 1 calc R U P B 1
C49 C -0.0571(12) 0.3536(9) 0.3898(5) 0.070(6) Uani 0.626(11) 1 d G U P B 1
H49A H -0.065140 0.388114 0.434857 0.084 Uiso 0.626(11) 1 calc R U P B 1
C50 C 0.0344(11) 0.3125(9) 0.3874(5) 0.079(5) Uani 0.626(11) 1 d G U P B 1
H50A H 0.089052 0.318861 0.430769 0.094 Uiso 0.626(11) 1 calc R U P B 1
C51 C 0.0461(9) 0.2620(8) 0.3215(6) 0.074(5) Uani 0.626(11) 1 d G U P B 1
H51A H 0.108737 0.233843 0.319849 0.089 Uiso 0.626(11) 1 calc R U P B 1
C52 C -0.0338(9) 0.2526(6) 0.2580(5) 0.038(3) Uani 0.626(11) 1 d G U P B 1
H52A H -0.025770 0.218078 0.213017 0.046 Uiso 0.626(11) 1 calc R U P B 1
C53 C -0.2070(17) 0.2852(13) 0.1981(9) 0.061(4) Uani 0.626(11) 1 d . U P B 1
H53A H -0.288836 0.239512 0.199560 0.092 Uiso 0.626(11) 1 calc R U P B 1
H53B H -0.175594 0.262661 0.154763 0.092 Uiso 0.626(11) 1 calc R U P B 1
H53C H -0.214186 0.347412 0.195840 0.092 Uiso 0.626(11) 1 calc R U P B 1
C54 C -0.1298(16) 0.3235(13) 0.3190(7) 0.060(8) Uani 0.374(11) 1 d G U P B 2
C55 C -0.0509(13) 0.2848(13) 0.2846(8) 0.047(6) Uani 0.374(11) 1 d G U P B 2
H55A H 0.019107 0.279728 0.312616 0.056 Uiso 0.374(11) 1 calc R U P B 2
C56 C -0.0743(14) 0.2535(12) 0.2092(8) 0.045(6) Uani 0.374(11) 1 d G U P B 2
H56A H -0.020378 0.227122 0.185627 0.054 Uiso 0.374(11) 1 calc R U P B 2
C57 C -0.1768(17) 0.2610(16) 0.1681(6) 0.061(7) Uani 0.374(11) 1 d G U P B 2
H57A H -0.192785 0.239612 0.116589 0.074 Uiso 0.374(11) 1 calc R U P B 2
C58 C -0.2557(15) 0.2996(16) 0.2026(9) 0.076(9) Uani 0.374(11) 1 d G U P B 2
H58A H -0.325707 0.304708 0.174540 0.091 Uiso 0.374(11) 1 calc R U P B 2
C59 C -0.2323(14) 0.3309(13) 0.2780(9) 0.048(6) Uani 0.374(11) 1 d G U P B 2
H59A H -0.286223 0.357315 0.301530 0.057 Uiso 0.374(11) 1 calc R U P B 2
C60 C -0.104(3) 0.354(2) 0.3804(14) 0.052(7) Uani 0.374(11) 1 d . U P B 2
H60A H -0.026069 0.345569 0.398829 0.078 Uiso 0.374(11) 1 calc R U P B 2
H60B H -0.169954 0.320616 0.405306 0.078 Uiso 0.374(11) 1 calc R U P B 2
H60C H -0.092138 0.422050 0.389843 0.078 Uiso 0.374(11) 1 calc R U P B 2




#--------------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
Pt1 C6 1.990(6) . ?
Pt1 C1 1.997(6) . ?
Pt1 S1 2.3507(14) . ?
Pt1 S2 2.3515(13) . ?
Pt1 Rh1 2.8096(5) . ?
Pt1 S4 2.8188(14) . ?
Pt2 C10 1.987(6) . ?
Pt2 C15 1.993(6) . ?
Pt2 S3 2.3432(13) . ?
Pt2 S4 2.3538(14) . ?
Pt2 Rh4 2.8058(5) . ?
Pt2 S1 2.8378(14) . ?
Rh1 C19 2.116(6) . ?
Rh1 C24 2.124(6) . ?
Rh1 C22 2.141(6) . ?
Rh1 C21 2.143(6) . ?
Rh1 S1 2.2777(14) . ?
Rh1 S2 2.3239(14) . ?
Rh1 Rh2 2.7504(6) . ?
Rh2 C28 2.144(5) . ?
Rh2 C26 2.145(5) . ?
Rh2 C29 2.167(5) . ?
Rh2 C31 2.170(6) . ?
Rh2 S1 2.3381(14) . ?
Rh2 S2 2.3568(14) . ?
Rh2 S3 2.6068(14) . ?
Rh2 Rh3 3.1042(6) . ?
Rh3 C36 2.137(6) . ?
Rh3 C38 2.138(5) . ?
Rh3 C33 2.166(6) . ?
Rh3 C35 2.174(6) . ?
Rh3 S4 2.3414(14) . ?
Rh3 S3 2.3474(14) . ?
Rh3 S2 2.5946(14) . ?
Rh3 Rh4 2.7629(6) . ?
Rh4 C42 2.114(6) . ?
Rh4 C40 2.125(6) . ?
Rh4 C43 2.135(5) . ?
Rh4 C45 2.142(6) . ?
Rh4 S4 2.2790(14) . ?
Rh4 S3 2.3251(14) . ?
C1 N1 1.330(7) . ?
C1 N2 1.341(7) . ?
N1 C2 1.373(7) . ?
N1 C4 1.456(8) . ?
C2 C3 1.302(9) . ?
C2 H2A 0.9500 . ?
C3 N2 1.380(8) . ?
C3 H3A 0.9500 . ?
N2 C5 1.427(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 N3 1.443(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N4 1.324(8) . ?
C6 N3 1.339(7) . ?
N3 C7 1.370(8) . ?
C7 C8 1.303(9) . ?
C7 H7A 0.9500 . ?
C8 N4 1.371(8) . ?
C8 H8A 0.9500 . ?
N4 C9 1.438(8) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
N5 C10 1.325(7) . ?
N5 C12 1.375(8) . ?
N5 C13 1.448(8) . ?
C10 N6 1.342(7) . ?
N6 C11 1.380(8) . ?
N6 C14 1.438(7) . ?
C11 C12 1.314(9) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 N7 1.436(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 N8 1.325(7) . ?
C15 N7 1.341(7) . ?
N7 C16 1.365(7) . ?
C16 C17 1.309(9) . ?
C16 H16A 0.9500 . ?
C17 N8 1.372(8) . ?
C17 H17A 0.9500 . ?
N8 C18 1.461(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C24 1.372(8) . ?
C19 C20 1.518(8) . ?
C19 H19A 0.9500 . ?
C20 C21 1.512(9) . ?
C20 C25 1.521(8) . ?
C20 H20A 1.0000 . ?
C21 C22 1.359(9) . ?
C21 H21A 0.9500 . ?
C22 C23 1.525(8) . ?
C22 H22A 0.9500 . ?
C23 C25 1.515(8) . ?
C23 C24 1.524(8) . ?
C23 H23A 1.0000 . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C31 1.361(8) . ?
C26 C27 1.526(8) . ?
C26 H26A 0.9500 . ?
C27 C28 1.514(8) . ?
C27 C32 1.524(8) . ?
C27 H27A 1.0000 . ?
C28 C29 1.373(8) . ?
C28 H28A 0.9500 . ?
C29 C30 1.524(8) . ?
C29 H29A 0.9500 . ?
C30 C31 1.519(8) . ?
C30 C32 1.522(8) . ?
C30 H30A 1.0000 . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C38 1.344(8) . ?
C33 C34 1.518(8) . ?
C33 H33A 0.9500 . ?
C34 C35 1.514(8) . ?
C34 C39 1.517(8) . ?
C34 H34A 1.0000 . ?
C35 C36 1.367(8) . ?
C35 H35A 0.9500 . ?
C36 C37 1.523(8) . ?
C36 H36A 0.9500 . ?
C37 C39 1.526(8) . ?
C37 C38 1.535(8) . ?
C37 H37A 1.0000 . ?
C38 H38A 0.9500 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C45 1.378(8) . ?
C40 C41 1.513(8) . ?
C40 H40A 0.9500 . ?
C41 C42 1.515(9) . ?
C41 C46 1.521(8) . ?
C41 H41A 1.0000 . ?
C42 C43 1.378(9) . ?
C42 H42A 0.9500 . ?
C43 C44 1.533(9) . ?
C43 H43A 0.9500 . ?
C44 C45 1.515(8) . ?
C44 C46 1.518(9) . ?
C44 H44A 1.0000 . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C53 1.389(18) . ?
C47 C48 1.3900 . ?
C47 C52 1.3900 . ?
C48 C49 1.3900 . ?
C48 H48A 0.9500 . ?
C49 C50 1.3900 . ?
C49 H49A 0.9500 . ?
C50 C51 1.3900 . ?
C50 H50A 0.9500 . ?
C51 C52 1.3900 . ?
C51 H51A 0.9500 . ?
C52 H52A 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C60 1.14(3) . ?
C54 C55 1.3900 . ?
C54 C59 1.3900 . ?
C55 C56 1.3900 . ?
C55 H55A 0.9500 . ?
C56 C57 1.3900 . ?
C56 H56A 0.9500 . ?
C57 C58 1.3900 . ?
C57 H57A 0.9500 . ?
C58 C59 1.3900 . ?
C58 H58A 0.9500 . ?
C59 H59A 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 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
C6 Pt1 C1 85.5(2) . . ?
C6 Pt1 S1 173.44(17) . . ?
C1 Pt1 S1 98.52(17) . . ?
C6 Pt1 S2 95.99(16) . . ?
C1 Pt1 S2 178.49(17) . . ?
S1 Pt1 S2 79.97(5) . . ?
C6 Pt1 Rh1 122.00(17) . . ?
C1 Pt1 Rh1 126.41(17) . . ?
S1 Pt1 Rh1 51.45(3) . . ?
S2 Pt1 Rh1 52.61(3) . . ?
C6 Pt1 S4 97.38(17) . . ?
C1 Pt1 S4 85.89(17) . . ?
S1 Pt1 S4 88.10(4) . . ?
S2 Pt1 S4 94.00(4) . . ?
Rh1 Pt1 S4 127.74(3) . . ?
C10 Pt2 C15 85.0(2) . . ?
C10 Pt2 S3 95.58(16) . . ?
C15 Pt2 S3 179.21(17) . . ?
C10 Pt2 S4 173.00(17) . . ?
C15 Pt2 S4 99.68(17) . . ?
S3 Pt2 S4 79.69(5) . . ?
C10 Pt2 Rh4 121.49(16) . . ?
C15 Pt2 Rh4 126.47(16) . . ?
S3 Pt2 Rh4 52.76(3) . . ?
S4 Pt2 Rh4 51.52(3) . . ?
C10 Pt2 S1 98.07(16) . . ?
C15 Pt2 S1 84.81(17) . . ?
S3 Pt2 S1 95.63(4) . . ?
S4 Pt2 S1 87.59(4) . . ?
Rh4 Pt2 S1 128.65(3) . . ?
C19 Rh1 C24 37.7(2) . . ?
C19 Rh1 C22 78.7(2) . . ?
C24 Rh1 C22 66.6(2) . . ?
C19 Rh1 C21 66.3(2) . . ?
C24 Rh1 C21 78.9(2) . . ?
C22 Rh1 C21 37.0(2) . . ?
C19 Rh1 S1 103.15(17) . . ?
C24 Rh1 S1 100.27(16) . . ?
C22 Rh1 S1 156.51(17) . . ?
C21 Rh1 S1 164.02(17) . . ?
C19 Rh1 S2 160.55(16) . . ?
C24 Rh1 S2 160.70(16) . . ?
C22 Rh1 S2 104.03(17) . . ?
C21 Rh1 S2 104.04(17) . . ?
S1 Rh1 S2 82.08(5) . . ?
C19 Rh1 Rh2 143.09(16) . . ?
C24 Rh1 Rh2 111.29(15) . . ?
C22 Rh1 Rh2 110.44(16) . . ?
C21 Rh1 Rh2 140.88(17) . . ?
S1 Rh1 Rh2 54.44(4) . . ?
S2 Rh1 Rh2 54.57(4) . . ?
C19 Rh1 Pt1 114.49(16) . . ?
C24 Rh1 Pt1 142.04(16) . . ?
C22 Rh1 Pt1 146.92(17) . . ?
C21 Rh1 Pt1 118.00(17) . . ?
S1 Rh1 Pt1 53.82(4) . . ?
S2 Rh1 Pt1 53.51(3) . . ?
Rh2 Rh1 Pt1 77.891(15) . . ?
C28 Rh2 C26 66.0(2) . . ?
C28 Rh2 C29 37.1(2) . . ?
C26 Rh2 C29 77.9(2) . . ?
C28 Rh2 C31 78.1(2) . . ?
C26 Rh2 C31 36.8(2) . . ?
C29 Rh2 C31 65.8(2) . . ?
C28 Rh2 S1 142.55(16) . . ?
C26 Rh2 S1 95.25(16) . . ?
C29 Rh2 S1 172.40(17) . . ?
C31 Rh2 S1 106.69(16) . . ?
C28 Rh2 S2 92.29(17) . . ?
C26 Rh2 S2 137.39(16) . . ?
C29 Rh2 S2 107.16(17) . . ?
C31 Rh2 S2 170.31(15) . . ?
S1 Rh2 S2 80.12(5) . . ?
C28 Rh2 S3 115.20(16) . . ?
C26 Rh2 S3 120.07(16) . . ?
C29 Rh2 S3 78.68(16) . . ?
C31 Rh2 S3 83.36(15) . . ?
S1 Rh2 S3 102.25(5) . . ?
S2 Rh2 S3 102.16(5) . . ?
C28 Rh2 Rh1 93.76(16) . . ?
C26 Rh2 Rh1 90.19(15) . . ?
C29 Rh2 Rh1 130.11(16) . . ?
C31 Rh2 Rh1 125.16(15) . . ?
S1 Rh2 Rh1 52.42(4) . . ?
S2 Rh2 Rh1 53.46(4) . . ?
S3 Rh2 Rh1 144.09(3) . . ?
C28 Rh2 Rh3 110.39(16) . . ?
C26 Rh2 Rh3 165.64(15) . . ?
C29 Rh2 Rh3 91.14(16) . . ?
C31 Rh2 Rh3 129.86(15) . . ?
S1 Rh2 Rh3 95.01(4) . . ?
S2 Rh2 Rh3 54.68(3) . . ?
S3 Rh2 Rh3 47.56(3) . . ?
Rh1 Rh2 Rh3 104.040(18) . . ?
C36 Rh3 C38 66.6(2) . . ?
C36 Rh3 C33 77.9(2) . . ?
C38 Rh3 C33 36.4(2) . . ?
C36 Rh3 C35 37.0(2) . . ?
C38 Rh3 C35 77.9(2) . . ?
C33 Rh3 C35 65.3(2) . . ?
C36 Rh3 S4 95.18(16) . . ?
C38 Rh3 S4 142.90(17) . . ?
C33 Rh3 S4 172.47(16) . . ?
C35 Rh3 S4 107.36(15) . . ?
C36 Rh3 S3 138.16(16) . . ?
C38 Rh3 S3 92.65(16) . . ?
C33 Rh3 S3 107.22(16) . . ?
C35 Rh3 S3 170.57(16) . . ?
S4 Rh3 S3 79.86(5) . . ?
C36 Rh3 S2 118.89(16) . . ?
C38 Rh3 S2 116.70(16) . . ?
C33 Rh3 S2 80.80(16) . . ?
C35 Rh3 S2 82.17(15) . . ?
S4 Rh3 S2 100.37(5) . . ?
S3 Rh3 S2 102.79(5) . . ?
C36 Rh3 Rh4 90.77(16) . . ?
C38 Rh3 Rh4 94.27(16) . . ?
C33 Rh3 Rh4 129.89(16) . . ?
C35 Rh3 Rh4 126.14(15) . . ?
S4 Rh3 Rh4 52.24(4) . . ?
S3 Rh3 Rh4 53.38(4) . . ?
S2 Rh3 Rh4 143.07(4) . . ?
C36 Rh3 Rh2 165.59(16) . . ?
C38 Rh3 Rh2 112.06(16) . . ?
C33 Rh3 Rh2 92.92(15) . . ?
C35 Rh3 Rh2 128.93(15) . . ?
S4 Rh3 Rh2 93.32(4) . . ?
S3 Rh3 Rh2 55.04(4) . . ?
S2 Rh3 Rh2 47.83(3) . . ?
Rh4 Rh3 Rh2 103.631(18) . . ?
C42 Rh4 C40 66.4(2) . . ?
C42 Rh4 C43 37.8(2) . . ?
C40 Rh4 C43 79.1(2) . . ?
C42 Rh4 C45 78.8(2) . . ?
C40 Rh4 C45 37.7(2) . . ?
C43 Rh4 C45 66.4(2) . . ?
C42 Rh4 S4 101.48(17) . . ?
C40 Rh4 S4 157.93(17) . . ?
C43 Rh4 S4 102.84(17) . . ?
C45 Rh4 S4 162.32(16) . . ?
C42 Rh4 S3 158.70(18) . . ?
C40 Rh4 S3 103.20(16) . . ?
C43 Rh4 S3 162.42(17) . . ?
C45 Rh4 S3 104.65(17) . . ?
S4 Rh4 S3 81.63(5) . . ?
C42 Rh4 Rh3 110.56(17) . . ?
C40 Rh4 Rh3 110.94(16) . . ?
C43 Rh4 Rh3 141.75(16) . . ?
C45 Rh4 Rh3 142.43(16) . . ?
S4 Rh4 Rh3 54.32(4) . . ?
S3 Rh4 Rh3 54.12(4) . . ?
C42 Rh4 Pt2 144.19(18) . . ?
C40 Rh4 Pt2 145.12(16) . . ?
C43 Rh4 Pt2 115.56(17) . . ?
C45 Rh4 Pt2 116.46(16) . . ?
S4 Rh4 Pt2 53.95(4) . . ?
S3 Rh4 Pt2 53.35(3) . . ?
Rh3 Rh4 Pt2 77.871(15) . . ?
Rh1 S1 Rh2 73.14(4) . . ?
Rh1 S1 Pt1 74.73(4) . . ?
Rh2 S1 Pt1 96.39(5) . . ?
Rh1 S1 Pt2 145.84(6) . . ?
Rh2 S1 Pt2 77.53(4) . . ?
Pt1 S1 Pt2 91.77(4) . . ?
Rh1 S2 Pt1 73.87(4) . . ?
Rh1 S2 Rh2 71.97(4) . . ?
Pt1 S2 Rh2 95.87(5) . . ?
Rh1 S2 Rh3 139.80(6) . . ?
Pt1 S2 Rh3 84.10(4) . . ?
Rh2 S2 Rh3 77.48(4) . . ?
Rh4 S3 Pt2 73.89(4) . . ?
Rh4 S3 Rh3 72.50(4) . . ?
Pt2 S3 Rh3 96.51(5) . . ?
Rh4 S3 Rh2 138.73(6) . . ?
Pt2 S3 Rh2 82.32(4) . . ?
Rh3 S3 Rh2 77.40(4) . . ?
Rh4 S4 Rh3 73.44(4) . . ?
Rh4 S4 Pt2 74.53(4) . . ?
Rh3 S4 Pt2 96.39(5) . . ?
Rh4 S4 Pt1 147.96(6) . . ?
Rh3 S4 Pt1 79.43(4) . . ?
Pt2 S4 Pt1 92.18(4) . . ?
N1 C1 N2 104.7(5) . . ?
N1 C1 Pt1 133.4(4) . . ?
N2 C1 Pt1 121.8(4) . . ?
C1 N1 C2 110.8(5) . . ?
C1 N1 C4 126.2(5) . . ?
C2 N1 C4 123.0(5) . . ?
C3 C2 N1 107.3(6) . . ?
C3 C2 H2A 126.4 . . ?
N1 C2 H2A 126.4 . . ?
C2 C3 N2 107.1(5) . . ?
C2 C3 H3A 126.5 . . ?
N2 C3 H3A 126.5 . . ?
C1 N2 C3 110.1(5) . . ?
C1 N2 C5 123.9(5) . . ?
C3 N2 C5 125.9(5) . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 N3 109.9(5) . . ?
N2 C5 H5A 109.7 . . ?
N3 C5 H5A 109.7 . . ?
N2 C5 H5B 109.7 . . ?
N3 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
N4 C6 N3 104.7(5) . . ?
N4 C6 Pt1 132.7(4) . . ?
N3 C6 Pt1 122.5(4) . . ?
C6 N3 C7 110.5(5) . . ?
C6 N3 C5 123.1(5) . . ?
C7 N3 C5 126.4(5) . . ?
C8 C7 N3 106.8(5) . . ?
C8 C7 H7A 126.6 . . ?
N3 C7 H7A 126.6 . . ?
C7 C8 N4 107.3(6) . . ?
C7 C8 H8A 126.3 . . ?
N4 C8 H8A 126.3 . . ?
C6 N4 C8 110.6(5) . . ?
C6 N4 C9 126.7(5) . . ?
C8 N4 C9 122.7(5) . . ?
N4 C9 H9A 109.5 . . ?
N4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C10 N5 C12 110.4(5) . . ?
C10 N5 C13 126.1(5) . . ?
C12 N5 C13 123.5(5) . . ?
N5 C10 N6 105.0(5) . . ?
N5 C10 Pt2 132.4(4) . . ?
N6 C10 Pt2 122.5(4) . . ?
C10 N6 C11 110.6(5) . . ?
C10 N6 C14 124.2(5) . . ?
C11 N6 C14 125.2(5) . . ?
C12 C11 N6 106.1(6) . . ?
C12 C11 H11A 127.0 . . ?
N6 C11 H11A 127.0 . . ?
C11 C12 N5 107.8(6) . . ?
C11 C12 H12A 126.1 . . ?
N5 C12 H12A 126.1 . . ?
N5 C13 H13A 109.5 . . ?
N5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N7 C14 N6 108.9(5) . . ?
N7 C14 H14A 109.9 . . ?
N6 C14 H14A 109.9 . . ?
N7 C14 H14B 109.9 . . ?
N6 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
N8 C15 N7 104.5(5) . . ?
N8 C15 Pt2 133.2(4) . . ?
N7 C15 Pt2 122.3(4) . . ?
C15 N7 C16 110.5(5) . . ?
C15 N7 C14 124.4(5) . . ?
C16 N7 C14 125.1(5) . . ?
C17 C16 N7 107.3(6) . . ?
C17 C16 H16A 126.4 . . ?
N7 C16 H16A 126.4 . . ?
C16 C17 N8 106.7(5) . . ?
C16 C17 H17A 126.7 . . ?
N8 C17 H17A 126.7 . . ?
C15 N8 C17 111.0(5) . . ?
C15 N8 C18 126.2(5) . . ?
C17 N8 C18 122.6(5) . . ?
N8 C18 H18A 109.5 . . ?
N8 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N8 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C24 C19 C20 106.7(5) . . ?
C24 C19 Rh1 71.5(3) . . ?
C20 C19 Rh1 96.9(4) . . ?
C24 C19 H19A 126.7 . . ?
C20 C19 H19A 126.7 . . ?
Rh1 C19 H19A 99.5 . . ?
C21 C20 C19 100.6(5) . . ?
C21 C20 C25 100.2(5) . . ?
C19 C20 C25 100.9(5) . . ?
C21 C20 H20A 117.4 . . ?
C19 C20 H20A 117.4 . . ?
C25 C20 H20A 117.4 . . ?
C22 C21 C20 106.6(5) . . ?
C22 C21 Rh1 71.5(3) . . ?
C20 C21 Rh1 96.0(4) . . ?
C22 C21 H21A 126.7 . . ?
C20 C21 H21A 126.7 . . ?
Rh1 C21 H21A 100.3 . . ?
C21 C22 C23 106.5(5) . . ?
C21 C22 Rh1 71.6(3) . . ?
C23 C22 Rh1 96.1(4) . . ?
C21 C22 H22A 126.7 . . ?
C23 C22 H22A 126.7 . . ?
Rh1 C22 H22A 100.1 . . ?
C25 C23 C24 101.1(5) . . ?
C25 C23 C22 99.9(5) . . ?
C24 C23 C22 100.4(4) . . ?
C25 C23 H23A 117.4 . . ?
C24 C23 H23A 117.4 . . ?
C22 C23 H23A 117.4 . . ?
C19 C24 C23 105.9(5) . . ?
C19 C24 Rh1 70.8(3) . . ?
C23 C24 Rh1 96.8(4) . . ?
C19 C24 H24A 127.0 . . ?
C23 C24 H24A 127.0 . . ?
Rh1 C24 H24A 100.1 . . ?
C23 C25 C20 94.3(5) . . ?
C23 C25 H25A 112.9 . . ?
C20 C25 H25A 112.9 . . ?
C23 C25 H25B 112.9 . . ?
C20 C25 H25B 112.9 . . ?
H25A C25 H25B 110.3 . . ?
C31 C26 C27 106.8(5) . . ?
C31 C26 Rh2 72.6(3) . . ?
C27 C26 Rh2 96.5(4) . . ?
C31 C26 H26A 126.6 . . ?
C27 C26 H26A 126.6 . . ?
Rh2 C26 H26A 98.9 . . ?
C28 C27 C32 101.1(5) . . ?
C28 C27 C26 100.4(4) . . ?
C32 C27 C26 100.1(5) . . ?
C28 C27 H27A 117.4 . . ?
C32 C27 H27A 117.4 . . ?
C26 C27 H27A 117.4 . . ?
C29 C28 C27 106.4(5) . . ?
C29 C28 Rh2 72.3(3) . . ?
C27 C28 Rh2 96.9(3) . . ?
C29 C28 H28A 126.8 . . ?
C27 C28 H28A 126.8 . . ?
Rh2 C28 H28A 98.8 . . ?
C28 C29 C30 106.3(5) . . ?
C28 C29 Rh2 70.5(3) . . ?
C30 C29 Rh2 96.3(3) . . ?
C28 C29 H29A 126.9 . . ?
C30 C29 H29A 126.9 . . ?
Rh2 C29 H29A 100.8 . . ?
C31 C30 C32 100.5(5) . . ?
C31 C30 C29 101.5(4) . . ?
C32 C30 C29 100.4(5) . . ?
C31 C30 H30A 117.2 . . ?
C32 C30 H30A 117.2 . . ?
C29 C30 H30A 117.2 . . ?
C26 C31 C30 106.2(5) . . ?
C26 C31 Rh2 70.6(3) . . ?
C30 C31 Rh2 96.3(4) . . ?
C26 C31 H31A 126.9 . . ?
C30 C31 H31A 126.9 . . ?
Rh2 C31 H31A 100.7 . . ?
C30 C32 C27 93.9(4) . . ?
C30 C32 H32A 112.9 . . ?
C27 C32 H32A 112.9 . . ?
C30 C32 H32B 112.9 . . ?
C27 C32 H32B 112.9 . . ?
H32A C32 H32B 110.4 . . ?
C38 C33 C34 106.7(5) . . ?
C38 C33 Rh3 70.7(3) . . ?
C34 C33 Rh3 96.8(3) . . ?
C38 C33 H33A 126.7 . . ?
C34 C33 H33A 126.7 . . ?
Rh3 C33 H33A 100.2 . . ?
C35 C34 C39 101.0(5) . . ?
C35 C34 C33 101.2(5) . . ?
C39 C34 C33 100.4(5) . . ?
C35 C34 H34A 117.1 . . ?
C39 C34 H34A 117.1 . . ?
C33 C34 H34A 117.1 . . ?
C36 C35 C34 106.1(5) . . ?
C36 C35 Rh3 70.0(3) . . ?
C34 C35 Rh3 96.6(4) . . ?
C36 C35 H35A 126.9 . . ?
C34 C35 H35A 126.9 . . ?
Rh3 C35 H35A 100.9 . . ?
C35 C36 C37 106.9(5) . . ?
C35 C36 Rh3 73.0(3) . . ?
C37 C36 Rh3 96.6(3) . . ?
C35 C36 H36A 126.6 . . ?
C37 C36 H36A 126.6 . . ?
Rh3 C36 H36A 98.6 . . ?
C36 C37 C39 100.2(5) . . ?
C36 C37 C38 100.2(4) . . ?
C39 C37 C38 99.3(5) . . ?
C36 C37 H37A 117.9 . . ?
C39 C37 H37A 117.9 . . ?
C38 C37 H37A 117.9 . . ?
C33 C38 C37 107.0(5) . . ?
C33 C38 Rh3 72.9(3) . . ?
C37 C38 Rh3 96.2(3) . . ?
C33 C38 H38A 126.5 . . ?
C37 C38 H38A 126.5 . . ?
Rh3 C38 H38A 99.0 . . ?
C34 C39 C37 94.2(5) . . ?
C34 C39 H39A 112.9 . . ?
C37 C39 H39A 112.9 . . ?
C34 C39 H39B 112.9 . . ?
C37 C39 H39B 112.9 . . ?
H39A C39 H39B 110.3 . . ?
C45 C40 C41 106.3(5) . . ?
C45 C40 Rh4 71.8(3) . . ?
C41 C40 Rh4 96.5(4) . . ?
C45 C40 H40A 126.8 . . ?
C41 C40 H40A 126.8 . . ?
Rh4 C40 H40A 99.5 . . ?
C40 C41 C42 100.1(5) . . ?
C40 C41 C46 100.7(5) . . ?
C42 C41 C46 101.1(5) . . ?
C40 C41 H41A 117.3 . . ?
C42 C41 H41A 117.3 . . ?
C46 C41 H41A 117.3 . . ?
C43 C42 C41 106.9(5) . . ?
C43 C42 Rh4 71.9(3) . . ?
C41 C42 Rh4 96.9(4) . . ?
C43 C42 H42A 126.5 . . ?
C41 C42 H42A 126.5 . . ?
Rh4 C42 H42A 99.2 . . ?
C42 C43 C44 105.3(5) . . ?
C42 C43 Rh4 70.3(3) . . ?
C44 C43 Rh4 96.4(4) . . ?
C42 C43 H43A 127.3 . . ?
C44 C43 H43A 127.3 . . ?
Rh4 C43 H43A 100.7 . . ?
C45 C44 C46 100.7(5) . . ?
C45 C44 C43 100.4(5) . . ?
C46 C44 C43 101.1(5) . . ?
C45 C44 H44A 117.2 . . ?
C46 C44 H44A 117.2 . . ?
C43 C44 H44A 117.2 . . ?
C40 C45 C44 106.1(5) . . ?
C40 C45 Rh4 70.5(3) . . ?
C44 C45 Rh4 96.7(4) . . ?
C40 C45 H45A 126.9 . . ?
C44 C45 H45A 126.9 . . ?
Rh4 C45 H45A 100.4 . . ?
C44 C46 C41 94.1(5) . . ?
C44 C46 H46A 112.9 . . ?
C41 C46 H46A 112.9 . . ?
C44 C46 H46B 112.9 . . ?
C41 C46 H46B 112.9 . . ?
H46A C46 H46B 110.3 . . ?
C53 C47 C48 118.7(10) . . ?
C53 C47 C52 121.3(10) . . ?
C48 C47 C52 120.0 . . ?
C47 C48 C49 120.0 . . ?
C47 C48 H48A 120.0 . . ?
C49 C48 H48A 120.0 . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C48 C49 H49A 120.0 . . ?
C51 C50 C49 120.0 . . ?
C51 C50 H50A 120.0 . . ?
C49 C50 H50A 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51A 120.0 . . ?
C52 C51 H51A 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 H52A 120.0 . . ?
C47 C52 H52A 120.0 . . ?
C47 C53 H53A 109.5 . . ?
C47 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C47 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C60 C54 C55 118(2) . . ?
C60 C54 C59 122(2) . . ?
C55 C54 C59 120.0 . . ?
C54 C55 C56 120.0 . . ?
C54 C55 H55A 120.0 . . ?
C56 C55 H55A 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56A 120.0 . . ?
C55 C56 H56A 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57A 120.0 . . ?
C58 C57 H57A 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 H58A 120.0 . . ?
C59 C58 H58A 120.0 . . ?
C58 C59 C54 120.0 . . ?
C58 C59 H59A 120.0 . . ?
C54 C59 H59A 120.0 . . ?
C54 C60 H60A 109.5 . . ?
C54 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C54 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 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
N2 C1 N1 C2 2.4(6) . . . . ?
Pt1 C1 N1 C2 -180.0(5) . . . . ?
N2 C1 N1 C4 -174.9(5) . . . . ?
Pt1 C1 N1 C4 2.7(9) . . . . ?
C1 N1 C2 C3 -2.4(7) . . . . ?
C4 N1 C2 C3 175.1(5) . . . . ?
N1 C2 C3 N2 1.3(7) . . . . ?
N1 C1 N2 C3 -1.6(6) . . . . ?
Pt1 C1 N2 C3 -179.6(4) . . . . ?
N1 C1 N2 C5 179.0(5) . . . . ?
Pt1 C1 N2 C5 1.0(8) . . . . ?
C2 C3 N2 C1 0.2(7) . . . . ?
C2 C3 N2 C5 179.6(5) . . . . ?
C1 N2 C5 N3 -49.4(7) . . . . ?
C3 N2 C5 N3 131.3(6) . . . . ?
N4 C6 N3 C7 2.2(6) . . . . ?
Pt1 C6 N3 C7 -177.3(4) . . . . ?
N4 C6 N3 C5 -177.4(5) . . . . ?
Pt1 C6 N3 C5 3.1(8) . . . . ?
N2 C5 N3 C6 47.1(7) . . . . ?
N2 C5 N3 C7 -132.6(6) . . . . ?
C6 N3 C7 C8 -0.9(7) . . . . ?
C5 N3 C7 C8 178.7(6) . . . . ?
N3 C7 C8 N4 -0.8(7) . . . . ?
N3 C6 N4 C8 -2.7(6) . . . . ?
Pt1 C6 N4 C8 176.7(4) . . . . ?
N3 C6 N4 C9 176.5(5) . . . . ?
Pt1 C6 N4 C9 -4.0(9) . . . . ?
C7 C8 N4 C6 2.3(7) . . . . ?
C7 C8 N4 C9 -177.0(6) . . . . ?
C12 N5 C10 N6 -2.9(6) . . . . ?
C13 N5 C10 N6 176.5(5) . . . . ?
C12 N5 C10 Pt2 175.5(4) . . . . ?
C13 N5 C10 Pt2 -5.1(9) . . . . ?
N5 C10 N6 C11 2.7(6) . . . . ?
Pt2 C10 N6 C11 -175.9(4) . . . . ?
N5 C10 N6 C14 -177.9(5) . . . . ?
Pt2 C10 N6 C14 3.5(7) . . . . ?
C10 N6 C11 C12 -1.5(7) . . . . ?
C14 N6 C11 C12 179.2(5) . . . . ?
N6 C11 C12 N5 -0.4(7) . . . . ?
C10 N5 C12 C11 2.1(7) . . . . ?
C13 N5 C12 C11 -177.3(6) . . . . ?
C10 N6 C14 N7 45.9(7) . . . . ?
C11 N6 C14 N7 -134.8(5) . . . . ?
N8 C15 N7 C16 -0.9(7) . . . . ?
Pt2 C15 N7 C16 179.0(4) . . . . ?
N8 C15 N7 C14 -179.9(5) . . . . ?
Pt2 C15 N7 C14 0.1(8) . . . . ?
N6 C14 N7 C15 -47.9(7) . . . . ?
N6 C14 N7 C16 133.4(6) . . . . ?
C15 N7 C16 C17 0.7(7) . . . . ?
C14 N7 C16 C17 179.6(6) . . . . ?
N7 C16 C17 N8 -0.1(7) . . . . ?
N7 C15 N8 C17 0.9(7) . . . . ?
Pt2 C15 N8 C17 -179.0(5) . . . . ?
N7 C15 N8 C18 -173.9(5) . . . . ?
Pt2 C15 N8 C18 6.2(9) . . . . ?
C16 C17 N8 C15 -0.5(7) . . . . ?
C16 C17 N8 C18 174.5(6) . . . . ?
C24 C19 C20 C21 69.4(5) . . . . ?
Rh1 C19 C20 C21 -3.2(4) . . . . ?
C24 C19 C20 C25 -33.2(6) . . . . ?
Rh1 C19 C20 C25 -105.9(4) . . . . ?
C19 C20 C21 C22 -69.2(5) . . . . ?
C25 C20 C21 C22 34.0(6) . . . . ?
C19 C20 C21 Rh1 3.2(4) . . . . ?
C25 C20 C21 Rh1 106.4(4) . . . . ?
C20 C21 C22 C23 -0.1(6) . . . . ?
Rh1 C21 C22 C23 -91.0(4) . . . . ?
C20 C21 C22 Rh1 90.9(4) . . . . ?
C21 C22 C23 C25 -33.9(6) . . . . ?
Rh1 C22 C23 C25 -106.4(4) . . . . ?
C21 C22 C23 C24 69.4(5) . . . . ?
Rh1 C22 C23 C24 -3.1(4) . . . . ?
C20 C19 C24 C23 -0.1(6) . . . . ?
Rh1 C19 C24 C23 91.8(4) . . . . ?
C20 C19 C24 Rh1 -91.9(4) . . . . ?
C25 C23 C24 C19 33.5(6) . . . . ?
C22 C23 C24 C19 -68.8(5) . . . . ?
C25 C23 C24 Rh1 105.5(4) . . . . ?
C22 C23 C24 Rh1 3.1(4) . . . . ?
C24 C23 C25 C20 -51.0(5) . . . . ?
C22 C23 C25 C20 51.7(5) . . . . ?
C21 C20 C25 C23 -52.1(5) . . . . ?
C19 C20 C25 C23 50.9(5) . . . . ?
C31 C26 C27 C28 70.0(5) . . . . ?
Rh2 C26 C27 C28 -3.8(4) . . . . ?
C31 C26 C27 C32 -33.5(6) . . . . ?
Rh2 C26 C27 C32 -107.2(4) . . . . ?
C32 C27 C28 C29 32.8(6) . . . . ?
C26 C27 C28 C29 -69.8(5) . . . . ?
C32 C27 C28 Rh2 106.4(4) . . . . ?
C26 C27 C28 Rh2 3.8(4) . . . . ?
C27 C28 C29 C30 1.2(6) . . . . ?
Rh2 C28 C29 C30 -91.0(4) . . . . ?
C27 C28 C29 Rh2 92.2(4) . . . . ?
C28 C29 C30 C31 68.3(5) . . . . ?
Rh2 C29 C30 C31 -3.2(4) . . . . ?
C28 C29 C30 C32 -34.8(5) . . . . ?
Rh2 C29 C30 C32 -106.3(4) . . . . ?
C27 C26 C31 C30 -0.6(6) . . . . ?
Rh2 C26 C31 C30 91.1(4) . . . . ?
C27 C26 C31 Rh2 -91.7(4) . . . . ?
C32 C30 C31 C26 34.6(6) . . . . ?
C29 C30 C31 C26 -68.4(5) . . . . ?
C32 C30 C31 Rh2 106.2(4) . . . . ?
C29 C30 C31 Rh2 3.2(4) . . . . ?
C31 C30 C32 C27 -52.2(5) . . . . ?
C29 C30 C32 C27 51.7(5) . . . . ?
C28 C27 C32 C30 -51.3(5) . . . . ?
C26 C27 C32 C30 51.5(5) . . . . ?
C38 C33 C34 C35 69.6(6) . . . . ?
Rh3 C33 C34 C35 -2.3(4) . . . . ?
C38 C33 C34 C39 -34.0(6) . . . . ?
Rh3 C33 C34 C39 -105.8(4) . . . . ?
C39 C34 C35 C36 34.3(6) . . . . ?
C33 C34 C35 C36 -68.8(6) . . . . ?
C39 C34 C35 Rh3 105.3(4) . . . . ?
C33 C34 C35 Rh3 2.3(4) . . . . ?
C34 C35 C36 C37 -0.6(6) . . . . ?
Rh3 C35 C36 C37 -91.9(4) . . . . ?
C34 C35 C36 Rh3 91.3(4) . . . . ?
C35 C36 C37 C39 -33.0(6) . . . . ?
Rh3 C36 C37 C39 -107.1(4) . . . . ?
C35 C36 C37 C38 68.5(5) . . . . ?
Rh3 C36 C37 C38 -5.7(4) . . . . ?
C34 C33 C38 C37 -0.2(6) . . . . ?
Rh3 C33 C38 C37 91.3(4) . . . . ?
C34 C33 C38 Rh3 -91.5(4) . . . . ?
C36 C37 C38 C33 -68.3(5) . . . . ?
C39 C37 C38 C33 33.9(6) . . . . ?
C36 C37 C38 Rh3 5.7(4) . . . . ?
C39 C37 C38 Rh3 107.9(4) . . . . ?
C35 C34 C39 C37 -51.7(5) . . . . ?
C33 C34 C39 C37 52.0(5) . . . . ?
C36 C37 C39 C34 50.8(5) . . . . ?
C38 C37 C39 C34 -51.4(5) . . . . ?
C45 C40 C41 C42 69.8(6) . . . . ?
Rh4 C40 C41 C42 -3.2(5) . . . . ?
C45 C40 C41 C46 -33.7(6) . . . . ?
Rh4 C40 C41 C46 -106.6(4) . . . . ?
C40 C41 C42 C43 -69.9(6) . . . . ?
C46 C41 C42 C43 33.2(6) . . . . ?
C40 C41 C42 Rh4 3.2(5) . . . . ?
C46 C41 C42 Rh4 106.3(4) . . . . ?
C41 C42 C43 C44 0.4(6) . . . . ?
Rh4 C42 C43 C44 -91.5(4) . . . . ?
C41 C42 C43 Rh4 91.9(4) . . . . ?
C42 C43 C44 C45 69.3(5) . . . . ?
Rh4 C43 C44 C45 -1.9(4) . . . . ?
C42 C43 C44 C46 -33.9(6) . . . . ?
Rh4 C43 C44 C46 -105.2(4) . . . . ?
C41 C40 C45 C44 0.0(6) . . . . ?
Rh4 C40 C45 C44 91.6(4) . . . . ?
C41 C40 C45 Rh4 -91.6(4) . . . . ?
C46 C44 C45 C40 33.9(6) . . . . ?
C43 C44 C45 C40 -69.7(6) . . . . ?
C46 C44 C45 Rh4 105.5(4) . . . . ?
C43 C44 C45 Rh4 1.9(4) . . . . ?
C45 C44 C46 C41 -51.6(5) . . . . ?
C43 C44 C46 C41 51.3(5) . . . . ?
C40 C41 C46 C44 51.6(6) . . . . ?
C42 C41 C46 C44 -51.1(5) . . . . ?
C53 C47 C48 C49 179.7(13) . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C47 0.0 . . . . ?
C53 C47 C52 C51 -179.7(13) . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C60 C54 C55 C56 -175(2) . . . . ?
C59 C54 C55 C56 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C54 0.0 . . . . ?
C60 C54 C59 C58 175(2) . . . . ?
C55 C54 C59 C58 0.0 . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C3 H3A Cl4 0.95 2.66 3.447(11) 140.2 1_455 yes
C4 H4C S1 0.98 2.66 3.320(6) 124.7 . yes
C5 H5A Cl1 0.99 2.82 3.714(6) 150.6 1_455 yes
C5 H5A Cl4 0.99 2.83 3.638(10) 139.7 1_455 yes
C5 H5B S4 0.99 2.52 3.300(6) 135.2 . yes
C5 H5B Cl3^e 0.99 2.64 3.131(8) 111.0 1_455 yes
C7 H7A Cl1 0.95 2.68 3.513(7) 146.4 1_455 yes
C9 H9A S2 0.98 2.78 3.284(6) 112.5 . yes
C11 H11A Cl2 0.95 2.65 3.489(7) 147.6 . yes
C13 H13A S3 0.98 2.73 3.231(6) 112.2 . yes
C13 H13B Cl2 0.98 2.90 3.869(7) 169.1 2_665 yes
C14 H14A Cl2 0.99 2.84 3.736(6) 150.6 . yes
C14 H14B S1 0.99 2.55 3.314(6) 133.5 . yes
C18 H18A S4 0.98 2.51 3.341(6) 142.3 . yes





_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: dichloromethane/methanol'
_refine_special_details          SQUEEZE
