# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_s100
_database_code_depnum_ccdc_archive 'CCDC 1954414'
loop_
_audit_author_name
_audit_author_address
'Michael Bodensteiner'
;University of Regensburg
Germany
;
_audit_update_record             
;
2019-09-18 deposited with the CCDC.	2020-11-18 downloaded from the CCDC.
;
_audit_creation_date             2019-07-22
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.07.11 svn.r3635 for OlexSys, GUI svn.r5848)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
marsel.shafikov@ur.de
sabine.stempfhuber@ur.de
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H72 N2 O4 Pt2 S4'
_chemical_formula_sum            'C54 H72 N2 O4 Pt2 S4'
_chemical_formula_weight         1331.55
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C54 H72 N2 O4 Pt2 S4'
_chemical_oxdiff_usercomment     Shafikov_Dick/Czerwieniec_RSM-204
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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           15
_space_group_name_H-M_alt        'I 1 2/a 1'
_space_group_name_Hall           '-I 2ya'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   13.0080(2)
_cell_length_b                   29.9327(3)
_cell_length_c                   13.6224(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.1120(10)
_cell_angle_gamma                90
_cell_volume                     5282.98(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23482
_cell_measurement_temperature    123.00(10)
_cell_measurement_theta_max      76.1780
_cell_measurement_theta_min      5.3530
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    11.595
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.21a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2648
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-8 2 0 0.0328
8 -2 0 0.0282
-2 -2 -8 0.1570
4 2 7 0.1116
0 19 0 0.0148
1 7 -8 0.1490
-7 4 4 0.0939
-1 -19 0 0.0165
0 19 0 0.0100

_exptl_crystal_size_max          0.322
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.031
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-8.3588 1.5089 -0.2719 -0.2896 0.5336 0.7946
8.3775 -1.5768 0.0687 0.2807 -0.5173 -0.8085
-1.8147 -2.3019 -8.3670 -0.4521 0.8320 -0.3216
3.9709 1.5743 7.3679 0.4767 -0.8775 0.0530
0.3848 19.4103 0.0487 0.9172 0.3802 0.1193
0.8333 7.3788 -8.1749 0.1138 0.8659 -0.4871
-7.4492 3.9291 4.4420 0.0124 0.0949 0.9954
-0.5968 -19.3827 0.1000 -0.9200 -0.3813 -0.0904
-0.4572 19.3751 -0.4113 0.8654 0.4702 0.1732

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            35097
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.403
_diffrn_reflns_theta_min         3.577
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      123.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3546
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -70.00  32.00   1.00    2.00    --  -41.42  57.00  90.00  102
  2  ω    -20.00  82.00   1.00    2.00    --   41.42 -99.00-180.00  102
  3  ω     17.00 116.00   1.00    2.00    --   41.42  37.00  30.00   99
  4  ω     17.00 116.00   1.00    2.00    --   41.42  37.00 -60.00   99
  5  ω     29.00 109.00   1.00   10.00    --  112.00 -94.00-150.00   80
  6  ω     86.00 158.00   1.00   10.00    --  112.00  45.00 -30.00   72
  7  ω     83.00 158.00   1.00   10.00    --  112.00  61.00 -90.00   75
  8  ω     36.00 116.00   1.00   10.00    --  112.00-111.00   0.00   80
  9  ω     36.00 116.00   1.00   10.00    --  112.00-111.00  60.00   80
 10  ω     36.00 116.00   1.00   10.00    --  112.00-111.00 -60.00   80
 11  ω     36.00  69.00   1.00   10.00    --  112.00 -30.00 -60.00   33
 12  ω     29.00 109.00   1.00   10.00    --  112.00 -94.00  90.00   80
 13  ω     83.00 158.00   1.00   10.00    --  112.00  61.00   0.00   75
 14  ω     36.00 116.00   1.00   10.00    --  112.00-111.00-180.00   80
 15  ω     36.00  69.00   1.00   10.00    --  112.00 -30.00 -30.00   33
 16  ω     79.00 158.00   1.00   10.00    --  112.00 111.00  90.00   79
 17  ω     39.00  77.00   1.00   10.00    --  112.00 -45.00-180.00   38
 18  ω     39.00  77.00   1.00   10.00    --  112.00 -45.00   0.00   38
 19  ω     36.00  69.00   1.00   10.00    --  112.00 -30.00 120.00   33
 20  ω     36.00 116.00   1.00   10.00    --  112.00-111.00 150.00   80
 21  ω     86.00 158.00   1.00   10.00    --  112.00  45.00-120.00   72
 22  ω     81.00 158.00   1.00   10.00    --  112.00  70.00 -66.99   77
 23  ω     13.00 115.00   1.00    2.00    --   41.42  57.00-180.00  102
 24  ω      9.00 118.00   1.00    2.00    --   41.42  77.00  30.00  109
 25  ω     17.00 116.00   1.00    2.00    --   41.42  37.00 150.00   99
 26  ω      9.00 118.00   1.00    2.00    --   41.42  77.00 -90.00  109
 27  ω     47.00 120.00   1.00    2.00    --   41.42 164.00  36.00   73
 28  ω     86.00 158.00   1.00   10.00    --  112.00  45.00-180.00   72
 29  ω     84.00 158.00   1.00   10.00    --  112.00  30.00  90.00   74
 30  ω     86.00 111.00   1.00   10.00    --  112.00  45.00-150.00   25
 31  ω     79.00 158.00   1.00   10.00    --  112.00  77.00  90.00   79
 32  ω     83.00 158.00   1.00   10.00    --  112.00  61.00  30.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0419646000
_diffrn_orient_matrix_UB_12      0.0463402000
_diffrn_orient_matrix_UB_13      0.0321813000
_diffrn_orient_matrix_UB_21      -0.0570414000
_diffrn_orient_matrix_UB_22      0.0209495000
_diffrn_orient_matrix_UB_23      -0.0928271000
_diffrn_orient_matrix_UB_31      -0.0954875000
_diffrn_orient_matrix_UB_32      0.0078954000
_diffrn_orient_matrix_UB_33      0.0569757000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5309
_reflns_number_total             5518
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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 1.171.41.21a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.41.21a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.41.21a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/3 (Sheldrick, 2015)'
_refine_diff_density_max         1.531
_refine_diff_density_min         -0.862
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         5518
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0207
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0302P)²+6.0138P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0548
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C11(H11A,H11B,H11C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   mixed
_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
Pt1 Pt 0.64585(2) 0.65288(2) 0.19223(2) 0.01951(5) Uani 1 1 d . . . . .
S1 S 0.63013(4) 0.80033(2) 0.17509(4) 0.02293(11) Uani 1 1 d . . . . .
S2 S 0.46127(5) 0.80788(2) 0.43698(4) 0.02599(12) Uani 1 1 d . . . . .
O2 O 0.58210(13) 0.63629(6) 0.31475(12) 0.0249(3) Uani 1 1 d . . . . .
O1 O 0.68412(13) 0.58677(5) 0.16413(12) 0.0252(3) Uani 1 1 d . . . . .
N1 N 0.70649(15) 0.68010(6) 0.07292(13) 0.0204(4) Uani 1 1 d . . . . .
C16 C 0.61522(18) 0.71590(8) 0.21753(17) 0.0217(4) Uani 1 1 d . . . . .
C12 C 0.750000 0.65945(11) 0.000000 0.0208(6) Uani 1 2 d S T P . .
C13 C 0.750000 0.74971(11) 0.000000 0.0227(6) Uani 1 2 d S T P . .
C15 C 0.65134(17) 0.74477(7) 0.14950(16) 0.0213(4) Uani 1 1 d . . . . .
C14 C 0.70356(18) 0.72654(7) 0.07171(16) 0.0213(4) Uani 1 1 d . . . . .
C17 C 0.56975(18) 0.73934(8) 0.29187(17) 0.0228(4) Uani 1 1 d . . . . .
C1 C 0.66393(19) 0.55473(8) 0.22109(18) 0.0259(5) Uani 1 1 d . . . . .
C18 C 0.57249(17) 0.78524(8) 0.28006(17) 0.0226(4) Uani 1 1 d . . . . .
C19 C 0.53725(19) 0.82003(8) 0.34237(17) 0.0243(5) Uani 1 1 d . . . . .
C22 C 0.4577(2) 0.86320(8) 0.47369(19) 0.0280(5) Uani 1 1 d . . . . .
C23 C 0.3990(2) 0.87720(9) 0.5590(2) 0.0324(5) Uani 1 1 d . . . . .
C26 C 0.2645(2) 0.81433(10) 0.7616(2) 0.0335(6) Uani 1 1 d . . . . .
C3 C 0.57717(19) 0.59670(8) 0.34929(17) 0.0247(5) Uani 1 1 d . . . . .
C25 C 0.2963(2) 0.85356(10) 0.7012(2) 0.0336(6) Uani 1 1 d . . . . .
C24 C 0.3592(2) 0.83909(10) 0.6175(2) 0.0315(5) Uani 1 1 d . . . . .
C8 C 0.5251(2) 0.59327(9) 0.44614(18) 0.0296(5) Uani 1 1 d . . . . .
C2 C 0.6145(2) 0.55814(8) 0.30764(19) 0.0300(5) Uani 1 1 d . . . . .
C20 C 0.5582(2) 0.86530(9) 0.3403(2) 0.0301(5) Uani 1 1 d . . . . .
C21 C 0.5132(2) 0.88900(9) 0.4156(2) 0.0310(5) Uani 1 1 d . . . . .
C4 C 0.6979(2) 0.50871(9) 0.1865(2) 0.0326(6) Uani 1 1 d . . . . .
C27 C 0.1955(2) 0.82575(10) 0.8427(2) 0.0342(6) Uani 1 1 d . . . . .
C28 C 0.1592(2) 0.78390(10) 0.8922(2) 0.0377(6) Uani 1 1 d . . . . .
H28A H 0.114411 0.767189 0.845903 0.057 Uiso 1 1 calc R U . . .
H28B H 0.122383 0.792134 0.947485 0.057 Uiso 1 1 calc R U . . .
H28C H 0.217778 0.765918 0.914451 0.057 Uiso 1 1 calc R U . . .
C9 C 0.4791(2) 0.63821(10) 0.4721(2) 0.0331(6) Uani 1 1 d . . . . .
C11 C 0.6061(2) 0.57924(11) 0.5292(2) 0.0415(7) Uani 1 1 d . . . . .
H11A H 0.636662 0.551398 0.512336 0.062 Uiso 1 1 calc R U . . .
H11B H 0.573638 0.575773 0.589326 0.062 Uiso 1 1 calc R U . . .
H11C H 0.658644 0.601762 0.537858 0.062 Uiso 1 1 calc R U . . .
C10 C 0.4378(2) 0.55846(10) 0.4356(2) 0.0409(7) Uani 1 1 d . . . . .
H10A H 0.387541 0.567146 0.383202 0.061 Uiso 1 1 calc R U . . .
H10B H 0.405452 0.556696 0.496198 0.061 Uiso 1 1 calc R U . . .
H10C H 0.465818 0.529805 0.420987 0.061 Uiso 1 1 calc R U . . .
C7 C 0.8148(3) 0.50950(11) 0.1845(2) 0.0401(7) Uani 1 1 d . . . . .
C5 C 0.6444(3) 0.50142(10) 0.0827(2) 0.0393(6) Uani 1 1 d . . . . .
C6 C 0.6676(3) 0.47006(10) 0.2522(3) 0.0472(8) Uani 1 1 d . . . . .
H12 H 0.750000 0.6271(14) 0.000000 0.017(9) Uiso 1 2 d S . P . .
H17 H 0.538(2) 0.7260(9) 0.347(2) 0.019(7) Uiso 1 1 d . . . . .
H27A H 0.138(3) 0.8431(10) 0.814(3) 0.033(9) Uiso 1 1 d . . . . .
H9A H 0.535(3) 0.6601(12) 0.479(3) 0.043(10) Uiso 1 1 d . . . . .
H9B H 0.429(3) 0.6483(11) 0.420(3) 0.040(10) Uiso 1 1 d . . . . .
H26A H 0.325(3) 0.7964(12) 0.789(2) 0.039(9) Uiso 1 1 d . . . . .
H5A H 0.665(3) 0.5245(12) 0.039(2) 0.035(8) Uiso 1 1 d . . . . .
H24A H 0.317(3) 0.8174(12) 0.572(2) 0.037(8) Uiso 1 1 d . . . . .
H25A H 0.234(3) 0.8707(11) 0.672(2) 0.032(8) Uiso 1 1 d . . . . .
H13 H 0.750000 0.7801(15) 0.000000 0.025(10) Uiso 1 2 d S . P . .
H2 H 0.604(2) 0.5318(12) 0.341(2) 0.031(8) Uiso 1 1 d . . . . .
H23A H 0.339(3) 0.8941(11) 0.531(2) 0.038(9) Uiso 1 1 d . . . . .
H25B H 0.342(3) 0.8758(13) 0.744(3) 0.044(10) Uiso 1 1 d . . . . .
H20 H 0.602(3) 0.8774(12) 0.294(2) 0.037(8) Uiso 1 1 d . . . . .
H6A H 0.704(3) 0.4746(12) 0.317(3) 0.043(9) Uiso 1 1 d . . . . .
H7A H 0.836(3) 0.5331(13) 0.142(3) 0.043(9) Uiso 1 1 d . . . . .
H21 H 0.518(2) 0.9197(12) 0.425(2) 0.037(8) Uiso 1 1 d . . . . .
H23B H 0.444(3) 0.8962(13) 0.604(3) 0.055(11) Uiso 1 1 d . . . . .
H24B H 0.417(3) 0.8228(12) 0.642(3) 0.042(9) Uiso 1 1 d . . . . .
H7B H 0.841(3) 0.4832(13) 0.159(3) 0.045(9) Uiso 1 1 d . . . . .
H6B H 0.590(3) 0.4678(13) 0.256(3) 0.045(10) Uiso 1 1 d . . . . .
H26B H 0.228(3) 0.7940(12) 0.719(3) 0.036(8) Uiso 1 1 d . . . . .
H5B H 0.668(3) 0.4737(14) 0.055(3) 0.057(11) Uiso 1 1 d . . . . .
H7C H 0.850(3) 0.5145(13) 0.245(3) 0.044(10) Uiso 1 1 d . . . . .
H9C H 0.446(2) 0.6370(10) 0.537(2) 0.026(7) Uiso 1 1 d . . . . .
H27B H 0.236(3) 0.8449(12) 0.894(3) 0.052(12) Uiso 1 1 d . . . . .
H5C H 0.569(3) 0.5023(12) 0.081(2) 0.039(9) Uiso 1 1 d . . . . .
H6C H 0.688(3) 0.4439(15) 0.226(3) 0.063(12) Uiso 1 1 d . . . . .


_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 O2 1.9917(16) . ?
Pt1 O1 2.0843(16) . ?
Pt1 N1 2.0386(19) . ?
Pt1 C16 1.965(2) . ?
S1 C15 1.726(2) . ?
S1 C18 1.733(2) . ?
S2 C19 1.731(3) . ?
S2 C22 1.731(2) . ?
O2 C3 1.279(3) . ?
O1 C1 1.276(3) . ?
N1 C12 1.338(2) . ?
N1 C14 1.391(3) . ?
C16 C15 1.380(3) . ?
C16 C17 1.405(3) . ?
C13 C14 1.380(3) 2_655 ?
C13 C14 1.380(3) . ?
C15 C14 1.418(3) . ?
C17 C18 1.384(3) . ?
C1 C2 1.396(3) . ?
C1 C4 1.533(3) . ?
C18 C19 1.444(3) . ?
C19 C20 1.383(4) . ?
C22 C23 1.506(3) . ?
C22 C21 1.359(4) . ?
C23 C24 1.510(4) . ?
C26 C25 1.513(4) . ?
C26 C27 1.523(4) . ?
C3 C8 1.540(3) . ?
C3 C2 1.393(3) . ?
C25 C24 1.524(4) . ?
C8 C9 1.527(4) . ?
C8 C11 1.535(4) . ?
C8 C10 1.538(4) . ?
C20 C21 1.415(4) . ?
C4 C7 1.524(4) . ?
C4 C5 1.536(4) . ?
C4 C6 1.535(4) . ?
C27 C28 1.517(4) . ?

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
O2 Pt1 O1 92.36(7) . . ?
O2 Pt1 N1 170.88(7) . . ?
N1 Pt1 O1 96.73(7) . . ?
C16 Pt1 O2 89.22(8) . . ?
C16 Pt1 O1 177.75(8) . . ?
C16 Pt1 N1 81.67(9) . . ?
C15 S1 C18 90.25(11) . . ?
C19 S2 C22 92.63(12) . . ?
C3 O2 Pt1 125.29(15) . . ?
C1 O1 Pt1 122.46(15) . . ?
C12 N1 Pt1 128.81(18) . . ?
C12 N1 C14 117.8(2) . . ?
C14 N1 Pt1 113.38(15) . . ?
C15 C16 Pt1 113.38(17) . . ?
C15 C16 C17 111.2(2) . . ?
C17 C16 Pt1 135.30(18) . . ?
N1 C12 N1 125.0(3) . 2_655 ?
C14 C13 C14 119.7(3) 2_655 . ?
C16 C15 S1 113.42(18) . . ?
C16 C15 C14 118.4(2) . . ?
C14 C15 S1 128.13(18) . . ?
N1 C14 C15 113.0(2) . . ?
C13 C14 N1 119.8(2) . . ?
C13 C14 C15 127.2(2) . . ?
C18 C17 C16 113.3(2) . . ?
O1 C1 C2 126.4(2) . . ?
O1 C1 C4 114.1(2) . . ?
C2 C1 C4 119.5(2) . . ?
C17 C18 S1 111.85(18) . . ?
C17 C18 C19 129.4(2) . . ?
C19 C18 S1 118.73(18) . . ?
C18 C19 S2 121.22(19) . . ?
C20 C19 S2 110.32(18) . . ?
C20 C19 C18 128.4(2) . . ?
C23 C22 S2 121.2(2) . . ?
C21 C22 S2 110.23(19) . . ?
C21 C22 C23 128.6(2) . . ?
C22 C23 C24 114.8(2) . . ?
C25 C26 C27 115.3(2) . . ?
O2 C3 C8 114.7(2) . . ?
O2 C3 C2 126.0(2) . . ?
C2 C3 C8 119.4(2) . . ?
C26 C25 C24 112.2(2) . . ?
C23 C24 C25 114.4(2) . . ?
C9 C8 C3 110.6(2) . . ?
C9 C8 C11 109.1(2) . . ?
C9 C8 C10 108.5(2) . . ?
C11 C8 C3 108.9(2) . . ?
C11 C8 C10 109.6(2) . . ?
C10 C8 C3 110.1(2) . . ?
C3 C2 C1 127.5(2) . . ?
C19 C20 C21 112.5(2) . . ?
C22 C21 C20 114.4(2) . . ?
C1 C4 C5 106.9(2) . . ?
C1 C4 C6 113.7(2) . . ?
C7 C4 C1 107.9(2) . . ?
C7 C4 C5 110.9(2) . . ?
C7 C4 C6 109.3(3) . . ?
C6 C4 C5 108.1(3) . . ?
C28 C27 C26 111.3(2) . . ?

_olex2_date_sample_data_collection 2019-07-17
_olex2_date_sample_submission    2019-07-11
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems CryoStream 700'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a MITIGEN holder with inert oil'
_olex2_submission_original_sample_id RSM-204
_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
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 3.125
_oxdiff_exptl_absorpt_empirical_full_min 0.615
