# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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. 
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data_MaPa067_MaPa_b
_database_code_depnum_ccdc_archive 'CCDC 2406490'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.4e (K.Radacki, 2005-23)'
_audit_creation_date             2023-05-17
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C11 H30 Cl2 P4 Pt2'
_chemical_formula_sum            'C11 H30 Cl2 P4 Pt2'
_chemical_formula_weight         747.31
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'
P P 0.1023 0.0942 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P n'
_space_group_name_Hall           'P -2yac'
_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, z+1/2'


_cell_length_a                   6.5571(19)
_cell_length_b                   12.974(2)
_cell_length_c                   12.042(2)
_cell_angle_alpha                90
_cell_angle_beta                 97.096(11)
_cell_angle_gamma                90
_cell_volume                     1016.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9701
_cell_measurement_theta_min      3.14
_cell_measurement_theta_max      35.06

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.441
_exptl_crystal_F_000             692
_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.088
_exptl_crystal_size_min          0.061
_exptl_absorpt_coefficient_mu    14.310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5264
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in 
 dichloromethane. For data collection the crystal was immersed in a film of 
 perfluoropolyether oil, mounted on a polyimide loop and transferred to 
 stream of cold nitrogen (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.159
_shelx_estimated_absorpt_T_max   0.476
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      -0,0957439
_diffrn_orient_matrix_UB_12      -0,0547793
_diffrn_orient_matrix_UB_13      0,0201865
_diffrn_orient_matrix_UB_21      -0,1185142
_diffrn_orient_matrix_UB_22      0,0513843
_diffrn_orient_matrix_UB_23      -0,0280156
_diffrn_orient_matrix_UB_31      0,0201540
_diffrn_orient_matrix_UB_32      -0,0368954
_diffrn_orient_matrix_UB_33      -0,0689102
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            26359
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.317
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3974
_reflns_number_gt                3901
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.990
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.997

_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    'SHELXS 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'

_refine_special_details          
;
 Refined as a 2-component inversion twin, with BASF = 2.8%.
One reflection was omitted as an outlier (0 2 2).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+0.6749P] 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.028(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3974
_refine_ls_number_parameters     181
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0166
_refine_ls_wR_factor_ref         0.0371
_refine_ls_wR_factor_gt          0.0367
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_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_1 Pt 0.47693(3) 0.65710(2) 0.51070(2) 0.01232(8) Uani 1 1 d . . . . .
Pt2_1 Pt 0.59847(3) 0.83313(2) 0.35144(2) 0.01333(8) Uani 1 1 d . . . . .
Cl1_1 Cl 0.6181(3) 0.55086(15) 0.66948(16) 0.0212(4) Uani 1 1 d . . . . .
Cl2_1 Cl 0.8915(3) 0.94292(15) 0.32844(16) 0.0213(4) Uani 1 1 d . . . . .
P1_1 P 0.6425(3) 0.55428(16) 0.39606(18) 0.0140(4) Uani 1 1 d . . . . .
P2_1 P 0.6538(3) 0.72036(16) 0.21454(17) 0.0150(4) Uani 1 1 d . . . . .
P3_1 P 0.5113(3) 0.94462(16) 0.48577(18) 0.0152(4) Uani 1 1 d . . . . .
P4_1 P 0.3270(3) 0.77081(15) 0.61929(17) 0.0140(4) Uani 1 1 d . . . . .
C1_1 C 0.9206(11) 0.5526(6) 0.4309(6) 0.0221(17) Uani 1 1 d . . . . .
H1A_1 H 0.981533 0.508951 0.377294 0.033 Uiso 1 1 calc R U . . .
H1B_1 H 0.955912 0.525060 0.506594 0.033 Uiso 1 1 calc R U . . .
H1C_1 H 0.974188 0.622907 0.427511 0.033 Uiso 1 1 calc R U . . .
C2_1 C 0.5745(13) 0.4187(6) 0.4002(7) 0.0220(18) Uani 1 1 d . . . . .
H2A_1 H 0.662320 0.378899 0.355762 0.033 Uiso 1 1 calc R U . . .
H2B_1 H 0.430310 0.409764 0.369116 0.033 Uiso 1 1 calc R U . . .
H2C_1 H 0.594317 0.394453 0.477794 0.033 Uiso 1 1 calc R U . . .
C3_1 C 0.6061(11) 0.5856(6) 0.2465(6) 0.0152(15) Uani 1 1 d . . . . .
H3A_1 H 0.699258 0.541788 0.208015 0.018 Uiso 1 1 calc R U . . .
H3B_1 H 0.463349 0.568039 0.215663 0.018 Uiso 1 1 calc R U . . .
C4_1 C 0.4858(13) 0.7407(7) 0.0831(6) 0.0244(18) Uani 1 1 d . . . . .
H4A_1 H 0.515348 0.688540 0.028449 0.037 Uiso 1 1 calc R U . . .
H4B_1 H 0.510243 0.809508 0.053949 0.037 Uiso 1 1 calc R U . . .
H4C_1 H 0.341913 0.734880 0.096693 0.037 Uiso 1 1 calc R U . . .
C5_1 C 0.9068(12) 0.7183(6) 0.1705(7) 0.0211(17) Uani 1 1 d . . . . .
H5A_1 H 0.906349 0.673399 0.105116 0.032 Uiso 1 1 calc R U . . .
H5B_1 H 1.005897 0.692194 0.231631 0.032 Uiso 1 1 calc R U . . .
H5C_1 H 0.945678 0.788362 0.150985 0.032 Uiso 1 1 calc R U . . .
C6_1 C 0.4162(13) 1.0677(6) 0.4283(7) 0.0236(19) Uani 1 1 d . . . . .
H6A_1 H 0.380069 1.111901 0.488879 0.035 Uiso 1 1 calc R U . . .
H6B_1 H 0.294263 1.056199 0.373979 0.035 Uiso 1 1 calc R U . . .
H6C_1 H 0.523174 1.101280 0.391034 0.035 Uiso 1 1 calc R U . . .
C7_1 C 0.7187(12) 0.9818(6) 0.5926(6) 0.0211(17) Uani 1 1 d . . . . .
H7A_1 H 0.666544 1.030503 0.644525 0.032 Uiso 1 1 calc R U . . .
H7B_1 H 0.828828 1.014492 0.557087 0.032 Uiso 1 1 calc R U . . .
H7C_1 H 0.772506 0.920440 0.633715 0.032 Uiso 1 1 calc R U . . .
C8_1 C 0.3045(11) 0.9027(6) 0.5637(6) 0.0160(15) Uani 1 1 d . . . . .
H8A_1 H 0.172890 0.908491 0.514062 0.019 Uiso 1 1 calc R U . . .
H8B_1 H 0.297861 0.950777 0.627020 0.019 Uiso 1 1 calc R U . . .
C9_1 C 0.4623(13) 0.7838(6) 0.7587(6) 0.0223(17) Uani 1 1 d . . . . .
H9A_1 H 0.389168 0.832700 0.801549 0.034 Uiso 1 1 calc R U . . .
H9B_1 H 0.601809 0.809104 0.754105 0.034 Uiso 1 1 calc R U . . .
H9C_1 H 0.469314 0.716522 0.796046 0.034 Uiso 1 1 calc R U . . .
C10_1 C 0.0656(12) 0.7451(6) 0.6437(7) 0.0211(17) Uani 1 1 d . . . . .
H10A_1 H 0.028705 0.790349 0.703227 0.032 Uiso 1 1 calc R U . . .
H10B_1 H 0.053285 0.673001 0.666145 0.032 Uiso 1 1 calc R U . . .
H10C_1 H -0.027171 0.758023 0.574827 0.032 Uiso 1 1 calc R U . . .
C11_1 C 0.3524(11) 0.7405(6) 0.3732(6) 0.0144(15) Uani 1 1 d . . . . .
H11A_1 H 0.313278 0.695681 0.307511 0.017 Uiso 1 1 calc R U . . .
H11B_1 H 0.231718 0.781262 0.389172 0.017 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_1 C11_1 2.060(7) . ?
Pt1_1 P4_1 2.274(2) . ?
Pt1_1 P1_1 2.288(2) . ?
Pt1_1 Cl1_1 2.4445(19) . ?
Pt1_1 Pt2_1 3.1476(5) . ?
Pt2_1 C11_1 2.054(7) . ?
Pt2_1 P2_1 2.267(2) . ?
Pt2_1 P3_1 2.294(2) . ?
Pt2_1 Cl2_1 2.4351(19) . ?
P1_1 C2_1 1.816(8) . ?
P1_1 C1_1 1.820(8) . ?
P1_1 C3_1 1.833(7) . ?
P2_1 C5_1 1.803(8) . ?
P2_1 C3_1 1.826(8) . ?
P2_1 C4_1 1.832(8) . ?
P3_1 C7_1 1.818(8) . ?
P3_1 C6_1 1.820(8) . ?
P3_1 C8_1 1.825(7) . ?
P4_1 C10_1 1.805(8) . ?
P4_1 C9_1 1.807(8) . ?
P4_1 C8_1 1.837(8) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3B_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9900 . ?
C8_1 H8B_1 0.9900 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C11_1 H11A_1 0.9900 . ?
C11_1 H11B_1 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11_1 Pt1_1 P4_1 88.0(2) . . ?
C11_1 Pt1_1 P1_1 89.5(2) . . ?
P4_1 Pt1_1 P1_1 175.14(7) . . ?
C11_1 Pt1_1 Cl1_1 177.3(2) . . ?
P4_1 Pt1_1 Cl1_1 93.72(7) . . ?
P1_1 Pt1_1 Cl1_1 88.92(7) . . ?
C11_1 Pt1_1 Pt2_1 40.0(2) . . ?
P4_1 Pt1_1 Pt2_1 92.27(5) . . ?
P1_1 Pt1_1 Pt2_1 83.14(5) . . ?
Cl1_1 Pt1_1 Pt2_1 141.80(5) . . ?
C11_1 Pt2_1 P2_1 85.1(2) . . ?
C11_1 Pt2_1 P3_1 90.6(2) . . ?
P2_1 Pt2_1 P3_1 174.82(8) . . ?
C11_1 Pt2_1 Cl2_1 179.2(2) . . ?
P2_1 Pt2_1 Cl2_1 95.48(7) . . ?
P3_1 Pt2_1 Cl2_1 88.86(7) . . ?
C11_1 Pt2_1 Pt1_1 40.2(2) . . ?
P2_1 Pt2_1 Pt1_1 92.87(5) . . ?
P3_1 Pt2_1 Pt1_1 85.64(5) . . ?
Cl2_1 Pt2_1 Pt1_1 139.16(5) . . ?
C2_1 P1_1 C1_1 103.0(4) . . ?
C2_1 P1_1 C3_1 103.8(4) . . ?
C1_1 P1_1 C3_1 103.5(4) . . ?
C2_1 P1_1 Pt1_1 114.3(3) . . ?
C1_1 P1_1 Pt1_1 113.9(3) . . ?
C3_1 P1_1 Pt1_1 116.7(2) . . ?
C5_1 P2_1 C3_1 103.6(4) . . ?
C5_1 P2_1 C4_1 103.0(4) . . ?
C3_1 P2_1 C4_1 102.7(4) . . ?
C5_1 P2_1 Pt2_1 117.3(3) . . ?
C3_1 P2_1 Pt2_1 114.7(2) . . ?
C4_1 P2_1 Pt2_1 113.7(3) . . ?
C7_1 P3_1 C6_1 103.2(4) . . ?
C7_1 P3_1 C8_1 104.7(4) . . ?
C6_1 P3_1 C8_1 102.4(4) . . ?
C7_1 P3_1 Pt2_1 115.9(3) . . ?
C6_1 P3_1 Pt2_1 112.9(3) . . ?
C8_1 P3_1 Pt2_1 116.1(3) . . ?
C10_1 P4_1 C9_1 103.5(4) . . ?
C10_1 P4_1 C8_1 101.3(4) . . ?
C9_1 P4_1 C8_1 105.1(4) . . ?
C10_1 P4_1 Pt1_1 117.4(3) . . ?
C9_1 P4_1 Pt1_1 113.4(3) . . ?
C8_1 P4_1 Pt1_1 114.6(2) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P2_1 C3_1 P1_1 114.5(4) . . ?
P2_1 C3_1 H3A_1 108.6 . . ?
P1_1 C3_1 H3A_1 108.6 . . ?
P2_1 C3_1 H3B_1 108.6 . . ?
P1_1 C3_1 H3B_1 108.6 . . ?
H3A_1 C3_1 H3B_1 107.6 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
P3_1 C6_1 H6A_1 109.5 . . ?
P3_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
P3_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P3_1 C7_1 H7A_1 109.5 . . ?
P3_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P3_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P3_1 C8_1 P4_1 115.7(4) . . ?
P3_1 C8_1 H8A_1 108.4 . . ?
P4_1 C8_1 H8A_1 108.4 . . ?
P3_1 C8_1 H8B_1 108.4 . . ?
P4_1 C8_1 H8B_1 108.4 . . ?
H8A_1 C8_1 H8B_1 107.4 . . ?
P4_1 C9_1 H9A_1 109.5 . . ?
P4_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P4_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P4_1 C10_1 H10A_1 109.5 . . ?
P4_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
P4_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
Pt2_1 C11_1 Pt1_1 99.8(3) . . ?
Pt2_1 C11_1 H11A_1 111.8 . . ?
Pt1_1 C11_1 H11A_1 111.8 . . ?
Pt2_1 C11_1 H11B_1 111.8 . . ?
Pt1_1 C11_1 H11B_1 111.8 . . ?
H11A_1 C11_1 H11B_1 109.5 . . ?

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
C5_1 P2_1 C3_1 P1_1 101.4(4) . . . . ?
C4_1 P2_1 C3_1 P1_1 -151.6(4) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -27.7(5) . . . . ?
C2_1 P1_1 C3_1 P2_1 177.8(4) . . . . ?
C1_1 P1_1 C3_1 P2_1 -75.0(5) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 51.0(5) . . . . ?
C7_1 P3_1 C8_1 P4_1 -80.8(5) . . . . ?
C6_1 P3_1 C8_1 P4_1 171.9(4) . . . . ?
Pt2_1 P3_1 C8_1 P4_1 48.4(5) . . . . ?
C10_1 P4_1 C8_1 P3_1 -160.8(4) . . . . ?
C9_1 P4_1 C8_1 P3_1 91.7(5) . . . . ?
Pt1_1 P4_1 C8_1 P3_1 -33.4(5) . . . . ?

_refine_diff_density_max         0.529
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.097


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/Pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_final_a
_database_code_depnum_ccdc_archive 'CCDC 2406509'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.4a (K.Radacki, 2005-23)'
_audit_creation_date             2023-04-24
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C12 H32 Br4 P4 Pt2'
_chemical_formula_sum            'C12 H32 Br4 P4 Pt2'
_chemical_formula_weight         1010.07
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'


_cell_length_a                   18.672(4)
_cell_length_b                   10.955(4)
_cell_length_c                   13.051(5)
_cell_angle_alpha                90
_cell_angle_beta                 117.21(3)
_cell_angle_gamma                90
_cell_volume                     2374.2(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4079
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      36.21

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.826
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.179
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.055
_exptl_absorpt_coefficient_mu    18.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6162
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in dbm. 
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.134
_shelx_estimated_absorpt_T_max   0.425
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0,0184019
_diffrn_orient_matrix_UB_12      0,0165339
_diffrn_orient_matrix_UB_13      -0,0847494
_diffrn_orient_matrix_UB_21      -0,1076719
_diffrn_orient_matrix_UB_22      0,0419340
_diffrn_orient_matrix_UB_23      0,0081769
_diffrn_orient_matrix_UB_31      -0,0049730
_diffrn_orient_matrix_UB_32      0,0996483
_diffrn_orient_matrix_UB_33      -0,0131624
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            15430
_diffrn_reflns_av_unetI/netI     0.0769
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.227
_diffrn_reflns_theta_max         36.521
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.913
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.913
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_standards_number         0
_reflns_number_total             5339
_reflns_number_gt                3857
_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    'SHELXS 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'

_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)+(0.0177P)²+13.0199P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5339
_refine_ls_number_parameters     104
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.0801
_refine_ls_wR_factor_gt          0.0706
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.568
_refine_diff_density_min         -1.828
_refine_diff_density_rms         0.355
_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_
_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_1 Pt 0.56156(2) 0.61051(2) 0.55113(2) 0.01179(5) Uani 1 1 d . . . . .
Br1_1 Br 0.63003(3) 0.71527(6) 0.75297(5) 0.01918(12) Uani 1 1 d . . . . .
Br2_1 Br 0.63205(3) 0.75671(6) 0.47071(5) 0.01993(12) Uani 1 1 d . . . . .
P1_1 P 0.45265(9) 0.74632(13) 0.47906(12) 0.0143(3) Uani 1 1 d . . . . .
P2_1 P 0.33164(8) 0.52904(14) 0.38229(12) 0.0147(3) Uani 1 1 d . . . . .
C1_1 C 0.4614(4) 0.8748(5) 0.5706(5) 0.0216(12) Uani 1 1 d . . . . .
H1A_1 H 0.417059 0.931904 0.529068 0.032 Uiso 1 1 calc R U . . .
H1B_1 H 0.512877 0.916307 0.592338 0.032 Uiso 1 1 calc R U . . .
H1C_1 H 0.459126 0.846105 0.640157 0.032 Uiso 1 1 calc R U . . .
C2_1 C 0.4301(4) 0.8174(5) 0.3418(5) 0.0200(11) Uani 1 1 d . . . . .
H2A_1 H 0.383118 0.870843 0.318478 0.030 Uiso 1 1 calc R U . . .
H2B_1 H 0.418423 0.753989 0.283288 0.030 Uiso 1 1 calc R U . . .
H2C_1 H 0.476493 0.865600 0.349553 0.030 Uiso 1 1 calc R U . . .
C3_1 C 0.3583(3) 0.6755(5) 0.4557(5) 0.0168(10) Uani 1 1 d . . . . .
H3A_1 H 0.359548 0.665294 0.531836 0.020 Uiso 1 1 calc R U . . .
H3AB_1 H 0.314368 0.733593 0.411182 0.020 Uiso 1 1 calc R U . . .
C4_1 C 0.2876(3) 0.5663(6) 0.2297(5) 0.0196(11) Uani 1 1 d . . . . .
H4A_1 H 0.257307 0.495833 0.184241 0.029 Uiso 1 1 calc R U . . .
H4B_1 H 0.330464 0.586938 0.209224 0.029 Uiso 1 1 calc R U . . .
H4C_1 H 0.251177 0.636126 0.213515 0.029 Uiso 1 1 calc R U . . .
C5_1 C 0.2466(3) 0.4847(6) 0.4050(5) 0.0221(12) Uani 1 1 d . . . . .
H5A_1 H 0.228384 0.403087 0.372899 0.033 Uiso 1 1 calc R U . . .
H5B_1 H 0.202616 0.543288 0.366625 0.033 Uiso 1 1 calc R U . . .
H5C_1 H 0.262680 0.483777 0.487768 0.033 Uiso 1 1 calc R U . . .
C6_1 C 0.5021(3) 0.5113(5) 0.3995(4) 0.0122(9) Uani 1 1 d . . . . .
H6A_1 H 0.465800 0.563522 0.334534 0.015 Uiso 1 1 calc R U . . .
H6AB_1 H 0.540366 0.468742 0.378467 0.015 Uiso 1 1 calc R U . . .


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_1 C6_1 2.077(5) 5_666 ?
Pt1_1 C6_1 2.079(5) . ?
Pt1_1 P2_1 2.3417(16) 5_666 ?
Pt1_1 P1_1 2.3419(16) . ?
Pt1_1 Br2_1 2.5811(8) . ?
Pt1_1 Br1_1 2.6099(12) . ?
Pt1_1 Pt1_1 3.1816(10) 5_666 ?
P1_1 C1_1 1.805(6) . ?
P1_1 C2_1 1.817(6) . ?
P1_1 C3_1 1.818(6) . ?
P2_1 C5_1 1.810(6) . ?
P2_1 C3_1 1.818(6) . ?
P2_1 C4_1 1.819(6) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3AB_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9900 . ?
C6_1 H6AB_1 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6_1 Pt1_1 C6_1 80.1(2) 5_666 . ?
C6_1 Pt1_1 P2_1 88.68(16) 5_666 5_666 ?
C6_1 Pt1_1 P2_1 90.29(16) . 5_666 ?
C6_1 Pt1_1 P1_1 90.99(15) 5_666 . ?
C6_1 Pt1_1 P1_1 87.85(16) . . ?
P2_1 Pt1_1 P1_1 178.14(5) 5_666 . ?
C6_1 Pt1_1 Br2_1 174.83(13) 5_666 . ?
C6_1 Pt1_1 Br2_1 94.96(14) . . ?
P2_1 Pt1_1 Br2_1 92.86(4) 5_666 . ?
P1_1 Pt1_1 Br2_1 87.31(4) . . ?
C6_1 Pt1_1 Br1_1 93.14(14) 5_666 . ?
C6_1 Pt1_1 Br1_1 173.13(14) . . ?
P2_1 Pt1_1 Br1_1 88.37(5) 5_666 . ?
P1_1 Pt1_1 Br1_1 93.48(5) . . ?
Br2_1 Pt1_1 Br1_1 91.84(3) . . ?
C6_1 Pt1_1 Pt1_1 40.07(13) 5_666 5_666 ?
C6_1 Pt1_1 Pt1_1 40.01(14) . 5_666 ?
P2_1 Pt1_1 Pt1_1 89.33(5) 5_666 5_666 ?
P1_1 Pt1_1 Pt1_1 89.24(5) . 5_666 ?
Br2_1 Pt1_1 Pt1_1 134.96(2) . 5_666 ?
Br1_1 Pt1_1 Pt1_1 133.20(2) . 5_666 ?
C1_1 P1_1 C2_1 103.2(3) . . ?
C1_1 P1_1 C3_1 103.4(3) . . ?
C2_1 P1_1 C3_1 104.3(3) . . ?
C1_1 P1_1 Pt1_1 115.5(2) . . ?
C2_1 P1_1 Pt1_1 115.8(2) . . ?
C3_1 P1_1 Pt1_1 113.1(2) . . ?
C5_1 P2_1 C3_1 101.5(3) . . ?
C5_1 P2_1 C4_1 104.3(3) . . ?
C3_1 P2_1 C4_1 104.9(3) . . ?
C5_1 P2_1 Pt1_1 115.2(2) . 5_666 ?
C3_1 P2_1 Pt1_1 113.51(19) . 5_666 ?
C4_1 P2_1 Pt1_1 115.8(2) . 5_666 ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P2_1 C3_1 P1_1 118.4(3) . . ?
P2_1 C3_1 H3A_1 107.7 . . ?
P1_1 C3_1 H3A_1 107.7 . . ?
P2_1 C3_1 H3AB_1 107.7 . . ?
P1_1 C3_1 H3AB_1 107.7 . . ?
H3A_1 C3_1 H3AB_1 107.1 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
Pt1_1 C6_1 Pt1_1 99.9(2) 5_666 . ?
Pt1_1 C6_1 H6A_1 111.8 5_666 . ?
Pt1_1 C6_1 H6A_1 111.8 . . ?
Pt1_1 C6_1 H6AB_1 111.8 5_666 . ?
Pt1_1 C6_1 H6AB_1 111.8 . . ?
H6A_1 C6_1 H6AB_1 109.5 . . ?

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
C5_1 P2_1 C3_1 P1_1 169.4(3) . . . . ?
C4_1 P2_1 C3_1 P1_1 -82.2(4) . . . . ?
Pt1_1 P2_1 C3_1 P1_1 45.1(4) 5_666 . . . ?
C1_1 P1_1 C3_1 P2_1 -172.0(3) . . . . ?
C2_1 P1_1 C3_1 P2_1 80.3(4) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 -46.4(4) . . . . ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_final_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2406498'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.6i (K.Radacki, 2005-25)'
_audit_creation_date             2025-10-28
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         'C11 H30 I2 P4 Pt2, C6 H6'
_chemical_formula_sum            'C17 H36 I2 P4 Pt2'
_chemical_formula_weight         1008.32
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'
_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+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'


_cell_length_a                   13.9003(12)
_cell_length_b                   16.8782(15)
_cell_length_c                   12.3088(10)
_cell_angle_alpha                90
_cell_angle_beta                 109.790(3)
_cell_angle_gamma                90
_cell_volume                     2717.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9942
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.09

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.465
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.084
_exptl_crystal_size_min          0.036
_exptl_absorpt_coefficient_mu    12.795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .2388
_exptl_absorpt_correction_T_max  0.3779
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.7 was 
 applied.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.287
_shelx_estimated_absorpt_T_max   0.656
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      -0.0183985
_diffrn_orient_matrix_UB_12      0.0320566
_diffrn_orient_matrix_UB_13      0.0584325
_diffrn_orient_matrix_UB_21      0.0716590
_diffrn_orient_matrix_UB_22      0.0204596
_diffrn_orient_matrix_UB_23      0.0313003
_diffrn_orient_matrix_UB_31      -0.0192885
_diffrn_orient_matrix_UB_32      0.0454323
_diffrn_orient_matrix_UB_33      -0.0553250
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            31492
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.262
_diffrn_reflns_theta_max         27.106
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_standards_number         0
_reflns_number_total             5927
_reflns_number_gt                5716
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.984
_reflns_Friedel_fraction_max     0.986
_reflns_Friedel_fraction_full    0.986
_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. Completness statistics refer to single and composite 
 reflections containing twin component 1 only.
;

_computing_data_collection       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'


_refine_special_details          
;
 Refined as a 2-component inversion twin. The BASF parameter was refined to 
 4.5%. One PMe2 group was modelled as twofold disordered (RESI 11/12 PMe2) in a 
71:29 ratio. ADPs within the disorder were restrained to similarity with SIMU 0.003
and approximated to isotropy with ISOR 0.005.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 'Refined as an inversion twin.'
_refine_ls_abs_structure_Flack   0.045(5)
_refine_ls_number_reflns         5927
_refine_ls_number_parameters     274
_refine_ls_number_restraints     134
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0224
_refine_ls_wR_factor_ref         0.0436
_refine_ls_wR_factor_gt          0.0429
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_restrained_S_all      0.963
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.128
_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_
_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
I1_1 I 0.60286(4) 0.64258(4) 0.63938(5) 0.01911(13) Uani 1 1 d . . . . .
Pt1_1 Pt 0.63989(2) 0.49393(2) 0.73293(3) 0.01102(7) Uani 1 1 d . . . . .
C6_1 C 0.6672(6) 0.3831(5) 0.8066(7) 0.0158(18) Uani 1 1 d . . . . .
H6A_1 H 0.635887 0.376762 0.867333 0.019 Uiso 1 1 calc R U . . .
H6B_1 H 0.741328 0.371706 0.839565 0.019 Uiso 1 1 calc R U . . .
Pt2_1 Pt 0.59616(2) 0.31272(2) 0.66504(2) 0.01217(7) Uani 1 1 d . . . . .
I2_1 I 0.50749(5) 0.21433(4) 0.48452(5) 0.02211(14) Uani 1 1 d . . . . .
C1_1 C 0.4637(7) 0.5630(6) 0.8582(8) 0.020(2) Uani 1 1 d . . . . .
H1A_1 H 0.473849 0.617081 0.835323 0.029 Uiso 1 1 calc R U . . .
H1B_1 H 0.512962 0.551944 0.935125 0.029 Uiso 1 1 calc R U . . .
H1C_1 H 0.394064 0.557480 0.859929 0.029 Uiso 1 1 calc R U . . .
C2_1 C 0.3795(8) 0.5131(7) 0.6200(8) 0.027(2) Uani 1 1 d . . . . .
H2A_1 H 0.387567 0.566571 0.593144 0.040 Uiso 1 1 calc R U . . .
H2B_1 H 0.313794 0.509255 0.632626 0.040 Uiso 1 1 calc R U . . .
H2C_1 H 0.381668 0.474306 0.561595 0.040 Uiso 1 1 calc R U . . .
P1_1 P 0.48286(19) 0.49307(13) 0.7547(2) 0.0135(5) Uani 1 1 d . . . . .
C3_11 C 0.4395(17) 0.4018(14) 0.7977(16) 0.0157(19) Uani 0.71(3) 1 d . U P A 1
H3A_11 H 0.366698 0.407848 0.790146 0.019 Uiso 0.71(3) 1 calc R U P A 1
H3B_11 H 0.478617 0.392412 0.880343 0.019 Uiso 0.71(3) 1 calc R U P A 1
P2_11 P 0.4524(7) 0.3141(4) 0.7146(9) 0.0160(12) Uani 0.71(3) 1 d . U P A 1
C4_11 C 0.4470(15) 0.2330(10) 0.8111(16) 0.025(3) Uani 0.71(3) 1 d . U P A 1
H4A_11 H 0.379452 0.232160 0.819819 0.037 Uiso 0.71(3) 1 calc R U P A 1
H4B_11 H 0.499679 0.240866 0.886778 0.037 Uiso 0.71(3) 1 calc R U P A 1
H4C_11 H 0.458806 0.182524 0.778319 0.037 Uiso 0.71(3) 1 calc R U P A 1
C5_11 C 0.3294(12) 0.3068(11) 0.6022(16) 0.023(3) Uani 0.71(3) 1 d . U P A 1
H5A_11 H 0.321842 0.254092 0.566890 0.035 Uiso 0.71(3) 1 calc R U P A 1
H5B_11 H 0.324210 0.347188 0.543263 0.035 Uiso 0.71(3) 1 calc R U P A 1
H5C_11 H 0.275225 0.315174 0.635292 0.035 Uiso 0.71(3) 1 calc R U P A 1
C3_12 C 0.451(4) 0.395(3) 0.817(4) 0.016(2) Uani 0.29(3) 1 d . U P A 2
H3A_12 H 0.495530 0.391200 0.898739 0.019 Uiso 0.29(3) 1 calc R U P A 2
H3B_12 H 0.379669 0.397510 0.814629 0.019 Uiso 0.29(3) 1 calc R U P A 2
P2_12 P 0.4675(15) 0.3061(12) 0.7434(18) 0.0172(17) Uani 0.29(3) 1 d . U P A 2
C4_12 C 0.485(3) 0.232(2) 0.846(3) 0.020(4) Uani 0.29(3) 1 d . U P A 2
H4A_12 H 0.431459 0.235993 0.880702 0.030 Uiso 0.29(3) 1 calc R U P A 2
H4B_12 H 0.552159 0.238784 0.905880 0.030 Uiso 0.29(3) 1 calc R U P A 2
H4C_12 H 0.481631 0.180437 0.809011 0.030 Uiso 0.29(3) 1 calc R U P A 2
C5_12 C 0.339(3) 0.288(2) 0.641(4) 0.022(3) Uani 0.29(3) 1 d . U P A 2
H5A_12 H 0.332979 0.232872 0.617092 0.033 Uiso 0.29(3) 1 calc R U P A 2
H5B_12 H 0.327577 0.322701 0.573808 0.033 Uiso 0.29(3) 1 calc R U P A 2
H5C_12 H 0.288847 0.300420 0.678486 0.033 Uiso 0.29(3) 1 calc R U P A 2
C7_1 C 0.8194(7) 0.5403(6) 0.5981(8) 0.023(2) Uani 1 1 d . . . . .
H7A_1 H 0.773321 0.520460 0.523888 0.035 Uiso 1 1 calc R U . . .
H7B_1 H 0.890461 0.532891 0.602142 0.035 Uiso 1 1 calc R U . . .
H7C_1 H 0.806369 0.596819 0.605134 0.035 Uiso 1 1 calc R U . . .
C8_1 C 0.9003(7) 0.5207(6) 0.8415(8) 0.020(2) Uani 1 1 d . . . . .
H8A_1 H 0.964839 0.520006 0.825745 0.030 Uiso 1 1 calc R U . . .
H8B_1 H 0.905744 0.485757 0.906857 0.030 Uiso 1 1 calc R U . . .
H8C_1 H 0.885698 0.574845 0.860117 0.030 Uiso 1 1 calc R U . . .
P3_1 P 0.79733(18) 0.48637(14) 0.7145(2) 0.0126(5) Uani 1 1 d . . . . .
C9_1 C 0.8409(6) 0.3854(5) 0.7000(7) 0.0149(17) Uani 1 1 d . . . . .
H9A_1 H 0.893408 0.388636 0.662339 0.018 Uiso 1 1 calc R U . . .
H9B_1 H 0.874405 0.363468 0.778392 0.018 Uiso 1 1 calc R U . . .
P4_1 P 0.74203(19) 0.31577(13) 0.6183(2) 0.0144(5) Uani 1 1 d . . . . .
C10_1 C 0.8115(7) 0.2229(6) 0.6426(9) 0.030(2) Uani 1 1 d . . . . .
H10A_1 H 0.767686 0.181197 0.595821 0.045 Uiso 1 1 calc R U . . .
H10B_1 H 0.831832 0.208658 0.724463 0.045 Uiso 1 1 calc R U . . .
H10C_1 H 0.872678 0.228579 0.620608 0.045 Uiso 1 1 calc R U . . .
C11_1 C 0.7262(7) 0.3390(6) 0.4697(7) 0.025(2) Uani 1 1 d . . . . .
H11A_1 H 0.684687 0.297879 0.419065 0.037 Uiso 1 1 calc R U . . .
H11B_1 H 0.793449 0.341314 0.460361 0.037 Uiso 1 1 calc R U . . .
H11C_1 H 0.692056 0.390386 0.449309 0.037 Uiso 1 1 calc R U . . .
C1_2 C 0.1723(8) 0.4852(7) 0.3364(9) 0.033(3) Uani 1 1 d . . . . .
H1_2 H 0.196956 0.453619 0.404118 0.039 Uiso 1 1 calc R U . . .
C2_2 C 0.1415(7) 0.4490(6) 0.2299(9) 0.027(2) Uani 1 1 d . . . . .
H2_2 H 0.144774 0.392967 0.224328 0.032 Uiso 1 1 calc R U . . .
C3_2 C 0.1061(8) 0.4942(7) 0.1323(10) 0.031(3) Uani 1 1 d . . . . .
H3_2 H 0.083964 0.469193 0.058789 0.038 Uiso 1 1 calc R U . . .
C4_2 C 0.1021(7) 0.5776(7) 0.1391(9) 0.031(2) Uani 1 1 d . . . . .
H4_2 H 0.078772 0.608845 0.070964 0.038 Uiso 1 1 calc R U . . .
C5_2 C 0.1331(8) 0.6131(7) 0.2477(10) 0.035(3) Uani 1 1 d . . . . .
H5_2 H 0.130306 0.669107 0.254445 0.042 Uiso 1 1 calc R U . . .
C6_2 C 0.1683(7) 0.5658(7) 0.3469(8) 0.029(2) Uani 1 1 d . . . . .
H6_2 H 0.189319 0.589601 0.421272 0.034 Uiso 1 1 calc R U . . .


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
I1_1 Pt1_1 2.7358(7) . ?
Pt1_1 C6_1 2.057(9) . ?
Pt1_1 P3_1 2.279(2) . ?
Pt1_1 P1_1 2.287(3) . ?
Pt1_1 Pt2_1 3.1745(5) . ?
C6_1 Pt2_1 2.063(8) . ?
Pt2_1 P2_11 2.279(8) . ?
Pt2_1 P4_1 2.288(3) . ?
Pt2_1 P2_12 2.30(2) . ?
Pt2_1 I2_1 2.7129(6) . ?
C1_1 P1_1 1.821(9) . ?
C2_1 P1_1 1.820(10) . ?
P1_1 C3_11 1.80(2) . ?
P1_1 C3_12 1.93(6) . ?
C3_11 P2_11 1.84(2) . ?
P2_11 C5_11 1.804(16) . ?
P2_11 C4_11 1.830(16) . ?
C3_12 P2_12 1.81(6) . ?
P2_12 C4_12 1.73(4) . ?
P2_12 C5_12 1.82(4) . ?
C7_1 P3_1 1.810(9) . ?
C8_1 P3_1 1.819(9) . ?
P3_1 C9_1 1.838(9) . ?
C9_1 P4_1 1.829(9) . ?
P4_1 C11_1 1.810(9) . ?
P4_1 C10_1 1.812(10) . ?
C1_2 C6_2 1.370(15) . ?
C1_2 C2_2 1.377(15) . ?
C2_2 C3_2 1.367(15) . ?
C3_2 C4_2 1.412(15) . ?
C4_2 C5_2 1.394(14) . ?
C5_2 C6_2 1.401(15) . ?

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_1 Pt1_1 P3_1 87.3(2) . . ?
C6_1 Pt1_1 P1_1 89.1(2) . . ?
P3_1 Pt1_1 P1_1 176.30(8) . . ?
C6_1 Pt1_1 I1_1 178.7(2) . . ?
P3_1 Pt1_1 I1_1 93.42(6) . . ?
P1_1 Pt1_1 I1_1 90.23(6) . . ?
C6_1 Pt1_1 Pt2_1 39.7(2) . . ?
P3_1 Pt1_1 Pt2_1 91.41(6) . . ?
P1_1 Pt1_1 Pt2_1 85.38(6) . . ?
I1_1 Pt1_1 Pt2_1 141.334(18) . . ?
Pt1_1 C6_1 Pt2_1 100.8(3) . . ?
C6_1 Pt2_1 P2_11 88.9(3) . . ?
C6_1 Pt2_1 P4_1 89.3(2) . . ?
P2_11 Pt2_1 P4_1 177.92(19) . . ?
C6_1 Pt2_1 P2_12 83.8(5) . . ?
P4_1 Pt2_1 P2_12 170.3(5) . . ?
C6_1 Pt2_1 I2_1 177.3(2) . . ?
P2_11 Pt2_1 I2_1 91.7(2) . . ?
P4_1 Pt2_1 I2_1 90.20(6) . . ?
P2_12 Pt2_1 I2_1 96.4(5) . . ?
C6_1 Pt2_1 Pt1_1 39.5(2) . . ?
P2_11 Pt2_1 Pt1_1 91.54(18) . . ?
P4_1 Pt2_1 Pt1_1 86.42(6) . . ?
P2_12 Pt2_1 Pt1_1 92.5(5) . . ?
I2_1 Pt2_1 Pt1_1 143.012(18) . . ?
C3_11 P1_1 C2_1 100.8(7) . . ?
C3_11 P1_1 C1_1 101.9(8) . . ?
C2_1 P1_1 C1_1 105.1(5) . . ?
C2_1 P1_1 C3_12 107.8(15) . . ?
C1_1 P1_1 C3_12 99.9(17) . . ?
C3_11 P1_1 Pt1_1 117.9(7) . . ?
C2_1 P1_1 Pt1_1 112.5(4) . . ?
C1_1 P1_1 Pt1_1 116.7(3) . . ?
C3_12 P1_1 Pt1_1 113.8(16) . . ?
P1_1 C3_11 P2_11 114.8(11) . . ?
C5_11 P2_11 C4_11 102.1(7) . . ?
C5_11 P2_11 C3_11 103.6(8) . . ?
C4_11 P2_11 C3_11 102.0(8) . . ?
C5_11 P2_11 Pt2_1 118.9(6) . . ?
C4_11 P2_11 Pt2_1 113.5(6) . . ?
C3_11 P2_11 Pt2_1 114.6(7) . . ?
P2_12 C3_12 P1_1 116(3) . . ?
C4_12 P2_12 C3_12 104(2) . . ?
C4_12 P2_12 C5_12 104.4(18) . . ?
C3_12 P2_12 C5_12 103(2) . . ?
C4_12 P2_12 Pt2_1 113.7(15) . . ?
C3_12 P2_12 Pt2_1 114.4(19) . . ?
C5_12 P2_12 Pt2_1 115.8(15) . . ?
C7_1 P3_1 C8_1 103.0(4) . . ?
C7_1 P3_1 C9_1 103.9(4) . . ?
C8_1 P3_1 C9_1 100.9(4) . . ?
C7_1 P3_1 Pt1_1 118.5(3) . . ?
C8_1 P3_1 Pt1_1 113.5(3) . . ?
C9_1 P3_1 Pt1_1 114.9(3) . . ?
P4_1 C9_1 P3_1 116.0(4) . . ?
C11_1 P4_1 C10_1 103.3(5) . . ?
C11_1 P4_1 C9_1 103.2(4) . . ?
C10_1 P4_1 C9_1 101.9(4) . . ?
C11_1 P4_1 Pt2_1 116.4(3) . . ?
C10_1 P4_1 Pt2_1 114.0(4) . . ?
C9_1 P4_1 Pt2_1 116.2(3) . . ?
C6_2 C1_2 C2_2 121.4(10) . . ?
C3_2 C2_2 C1_2 119.5(10) . . ?
C2_2 C3_2 C4_2 120.9(10) . . ?
C5_2 C4_2 C3_2 118.7(10) . . ?
C4_2 C5_2 C6_2 119.6(10) . . ?
C1_2 C6_2 C5_2 119.8(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2_1 P1_1 C3_11 P2_11 74.4(10) . . . . ?
C1_1 P1_1 C3_11 P2_11 -177.5(8) . . . . ?
Pt1_1 P1_1 C3_11 P2_11 -48.4(11) . . . . ?
P1_1 C3_11 P2_11 C5_11 -93.8(11) . . . . ?
P1_1 C3_11 P2_11 C4_11 160.4(10) . . . . ?
P1_1 C3_11 P2_11 Pt2_1 37.3(10) . . . . ?
P1_1 C3_12 P2_12 C4_12 157(2) . . . . ?
P1_1 C3_12 P2_12 C5_12 -95(3) . . . . ?
P1_1 C3_12 P2_12 Pt2_1 32(3) . . . . ?
C7_1 P3_1 C9_1 P4_1 -95.2(5) . . . . ?
C8_1 P3_1 C9_1 P4_1 158.3(5) . . . . ?
Pt1_1 P3_1 C9_1 P4_1 35.7(5) . . . . ?
P3_1 C9_1 P4_1 C11_1 81.2(6) . . . . ?
P3_1 C9_1 P4_1 C10_1 -171.9(5) . . . . ?
P3_1 C9_1 P4_1 Pt2_1 -47.4(5) . . . . ?
C6_2 C1_2 C2_2 C3_2 0.1(17) . . . . ?
C1_2 C2_2 C3_2 C4_2 0.9(17) . . . . ?
C2_2 C3_2 C4_2 C5_2 -1.3(15) . . . . ?
C3_2 C4_2 C5_2 C6_2 0.7(14) . . . . ?
C2_2 C1_2 C6_2 C5_2 -0.6(16) . . . . ?
C4_2 C5_2 C6_2 C1_2 0.2(15) . . . . ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/Pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_final_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2406556'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.4m (K.Radacki, 2005-23)'
_audit_creation_date             2023-07-28
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C12 H34 Cl2 P4 Pt2 Si, C6 H6'
_chemical_formula_sum            'C18 H40 Cl2 P4 Pt2 Si'
_chemical_formula_weight         869.55
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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   9.639(4)
_cell_length_b                   29.672(11)
_cell_length_c                   9.783(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.077(13)
_cell_angle_gamma                90
_cell_volume                     2791(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9817
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      32.16

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.070
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.229
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.142
_exptl_absorpt_coefficient_mu    10.483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4361
_exptl_absorpt_correction_T_max  0.7474
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in 
 benzene. For data collection the crystal was immersed in a film of 
 perfluoropolyether oil, mounted on a polyimide loop and transferred to 
 stream of cold nitrogen (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.198
_shelx_estimated_absorpt_T_max   0.318
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0,0624633
_diffrn_orient_matrix_UB_12      -0,0836290
_diffrn_orient_matrix_UB_13      0,0065823
_diffrn_orient_matrix_UB_21      -0,0564364
_diffrn_orient_matrix_UB_22      -0,0547980
_diffrn_orient_matrix_UB_23      -0,0206701
_diffrn_orient_matrix_UB_31      0,0610862
_diffrn_orient_matrix_UB_32      0,0224828
_diffrn_orient_matrix_UB_33      -0,0257921
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            33425
_diffrn_reflns_av_unetI/netI     0.0546
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.197
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5691
_reflns_number_gt                4902
_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2014/5 (Sheldrick, 2014)'"
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'

_refine_special_details          
;
 The asymmetric unit contains a benzene solvent molecule, which was modelled
as twofold rotationally disordered (RESI 3/33 BENZ) in a 78:22 ratio. 
The benzene rings within the disorder were idealized with AFIX 6.
ADPs within this disorder were restrained to similarity with SIMU 0.005.
The SiMe2Cl substituent at PT1 was modelled as twofold rotationally disordered
(RESI 2/22 SI) in a 73:27 ratio in C1 and CL1. The SI1_1-C1_2 and SI1_1-C1_22 
distances were restrained to similarity using SADI.
ADPs within the disorder were restrained to similarity with SI1 using SIMU 0.005.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0159P)²+10.3136P] 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         5691
_refine_ls_number_parameters     332
_refine_ls_number_restraints     211
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0740
_refine_ls_wR_factor_gt          0.0697
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.004
_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_1 Pt 0.73605(2) 0.60423(2) 0.34565(2) 0.01325(7) Uani 1 1 d . . . . .
Pt2_1 Pt 0.59341(2) 0.66361(2) 0.48941(2) 0.01564(7) Uani 1 1 d . . . . .
Cl1_1 Cl 0.4534(2) 0.71273(6) 0.6251(2) 0.0390(5) Uani 1 1 d . . . . .
P1_1 P 0.51905(16) 0.58721(5) 0.25232(18) 0.0181(3) Uani 1 1 d . . . . .
P2_1 P 0.50457(17) 0.68694(6) 0.28250(18) 0.0196(4) Uani 1 1 d . . . . .
P3_1 P 0.70599(17) 0.62814(6) 0.66944(17) 0.0188(3) Uani 1 1 d . . . . .
P4_1 P 0.92030(16) 0.63600(6) 0.46910(18) 0.0183(3) Uani 1 1 d . . . . .
C1_1 C 0.4138(7) 0.5618(2) 0.3817(8) 0.0296(17) Uani 1 1 d . . . . .
H1A_1 H 0.322847 0.553055 0.338711 0.044 Uiso 1 1 calc R U . . .
H1B_1 H 0.400897 0.583764 0.454636 0.044 Uiso 1 1 calc R U . . .
H1C_1 H 0.461459 0.535118 0.420832 0.044 Uiso 1 1 calc R U . . .
C2_1 C 0.4800(8) 0.5500(2) 0.1067(8) 0.0347(19) Uani 1 1 d . . . . .
H2A_1 H 0.379012 0.548356 0.086792 0.052 Uiso 1 1 calc R U . . .
H2B_1 H 0.516445 0.519822 0.128472 0.052 Uiso 1 1 calc R U . . .
H2C_1 H 0.523415 0.561811 0.026520 0.052 Uiso 1 1 calc R U . . .
C3_1 C 0.4236(7) 0.6381(2) 0.1938(7) 0.0252(15) Uani 1 1 d . . . . .
H3A_1 H 0.427308 0.641613 0.093462 0.030 Uiso 1 1 calc R U . . .
H3AB_1 H 0.324923 0.635686 0.214716 0.030 Uiso 1 1 calc R U . . .
C4_1 C 0.6251(7) 0.7074(2) 0.1613(7) 0.0291(16) Uani 1 1 d . . . . .
H4A_1 H 0.573584 0.714836 0.074229 0.044 Uiso 1 1 calc R U . . .
H4B_1 H 0.693967 0.683981 0.145947 0.044 Uiso 1 1 calc R U . . .
H4C_1 H 0.672588 0.734413 0.198501 0.044 Uiso 1 1 calc R U . . .
C5_1 C 0.3682(7) 0.7292(3) 0.2738(9) 0.0355(18) Uani 1 1 d . . . . .
H5A_1 H 0.340720 0.736055 0.177702 0.053 Uiso 1 1 calc R U . . .
H5B_1 H 0.402532 0.756676 0.320446 0.053 Uiso 1 1 calc R U . . .
H5C_1 H 0.287589 0.717722 0.318694 0.053 Uiso 1 1 calc R U . . .
C6_1 C 0.9356(7) 0.6962(2) 0.4406(8) 0.0316(17) Uani 1 1 d . . . . .
H6A_1 H 1.011639 0.708379 0.501527 0.047 Uiso 1 1 calc R U . . .
H6B_1 H 0.848280 0.711112 0.459810 0.047 Uiso 1 1 calc R U . . .
H6C_1 H 0.955044 0.701745 0.345043 0.047 Uiso 1 1 calc R U . . .
C7_1 C 1.1024(7) 0.6194(3) 0.4595(8) 0.0328(18) Uani 1 1 d . . . . .
H7A_1 H 1.162410 0.640023 0.515080 0.049 Uiso 1 1 calc R U . . .
H7B_1 H 1.126698 0.620652 0.363996 0.049 Uiso 1 1 calc R U . . .
H7C_1 H 1.115496 0.588598 0.494310 0.049 Uiso 1 1 calc R U . . .
C8_1 C 0.8949(7) 0.6303(2) 0.6521(7) 0.0236(15) Uani 1 1 d . . . . .
H8A_1 H 0.936461 0.656251 0.703569 0.028 Uiso 1 1 calc R U . . .
H8AB_1 H 0.939699 0.602316 0.688788 0.028 Uiso 1 1 calc R U . . .
C9_1 C 0.6821(8) 0.6494(3) 0.8421(7) 0.0302(17) Uani 1 1 d . . . . .
H9A_1 H 0.740198 0.631939 0.909279 0.045 Uiso 1 1 calc R U . . .
H9B_1 H 0.584213 0.646340 0.861584 0.045 Uiso 1 1 calc R U . . .
H9C_1 H 0.709165 0.681191 0.847817 0.045 Uiso 1 1 calc R U . . .
C10_1 C 0.6700(8) 0.5680(2) 0.6853(8) 0.0303(17) Uani 1 1 d . . . . .
H10A_1 H 0.724805 0.555811 0.764989 0.045 Uiso 1 1 calc R U . . .
H10B_1 H 0.694994 0.552362 0.602299 0.045 Uiso 1 1 calc R U . . .
H10C_1 H 0.570741 0.563607 0.696965 0.045 Uiso 1 1 calc R U . . .
C11_1 C 1.0228(7) 0.5223(2) 0.2930(8) 0.0304(16) Uani 1 1 d . U . . .
H11A_1 H 1.036178 0.492333 0.254176 0.046 Uiso 1 1 calc R U . . .
H11B_1 H 1.042262 0.521196 0.392664 0.046 Uiso 1 1 calc R U . . .
H11C_1 H 1.086195 0.543757 0.253567 0.046 Uiso 1 1 calc R U . . .
Si1_1 Si 0.83729(18) 0.54103(6) 0.25197(19) 0.0187(4) Uani 1 1 d D U . . .
Cl1_2 Cl 0.7243(3) 0.48389(13) 0.3236(5) 0.0293(9) Uani 0.725(8) 1 d . U P A 1
C1_2 C 0.814(4) 0.5295(12) 0.063(2) 0.024(4) Uani 0.725(8) 1 d D U P A 1
H1A_2 H 0.870930 0.503485 0.040626 0.035 Uiso 0.725(8) 1 calc R U P A 1
H1B_2 H 0.843419 0.555961 0.012316 0.035 Uiso 0.725(8) 1 calc R U P A 1
H1C_2 H 0.716034 0.523079 0.037170 0.035 Uiso 0.725(8) 1 calc R U P A 1
Cl1_22 Cl 0.819(3) 0.5316(8) 0.0393(16) 0.022(2) Uani 0.275(8) 1 d . U P A 2
C1_22 C 0.761(4) 0.4877(13) 0.319(6) 0.025(4) Uani 0.275(8) 1 d D U P A 2
H1A_22 H 0.769418 0.488070 0.419354 0.038 Uiso 0.275(8) 1 calc R U P A 2
H1B_22 H 0.811320 0.461652 0.285745 0.038 Uiso 0.275(8) 1 calc R U P A 2
H1C_22 H 0.662664 0.485631 0.286582 0.038 Uiso 0.275(8) 1 calc R U P A 2
C1_3 C 0.7743(11) 0.3304(5) 0.1302(12) 0.0306(15) Uani 0.78(2) 1 d . U P B 1
H1_3 H 0.713323 0.316829 0.190374 0.037 Uiso 0.78(2) 1 calc R U P B 1
C2_3 C 0.7855(13) 0.3764(5) 0.1262(12) 0.0304(16) Uani 0.78(2) 1 d G U P B 1
H2_3 H 0.732409 0.394882 0.182307 0.036 Uiso 0.78(2) 1 calc R U P B 1
C3_3 C 0.8778(14) 0.3959(3) 0.0368(14) 0.0272(16) Uani 0.78(2) 1 d G U P B 1
H3_3 H 0.886661 0.427743 0.032511 0.033 Uiso 0.78(2) 1 calc R U P B 1
C4_3 C 0.9560(11) 0.3686(4) -0.0451(12) 0.0277(16) Uani 0.78(2) 1 d G U P B 1
H4_3 H 1.018785 0.381598 -0.104597 0.033 Uiso 0.78(2) 1 calc R U P B 1
C5_3 C 0.9401(11) 0.3222(4) -0.0378(12) 0.0290(15) Uani 0.78(2) 1 d G U P B 1
H5_3 H 0.992018 0.303191 -0.093191 0.035 Uiso 0.78(2) 1 calc R U P B 1
C6_3 C 0.8495(12) 0.3036(4) 0.0490(13) 0.0305(15) Uani 0.78(2) 1 d G U P B 1
H6_3 H 0.839152 0.271839 0.052495 0.037 Uiso 0.78(2) 1 calc R U P B 1
C1_33 C 0.834(4) 0.3942(7) 0.079(4) 0.0284(18) Uani 0.22(2) 1 d G U P B 2
H1_33 H 0.819649 0.425455 0.093518 0.034 Uiso 0.22(2) 1 calc R U P B 2
C2_33 C 0.930(4) 0.3800(10) -0.013(4) 0.0283(18) Uani 0.22(2) 1 d G U P B 2
H2_33 H 0.982182 0.401637 -0.059309 0.034 Uiso 0.22(2) 1 calc R U P B 2
C3_33 C 0.951(3) 0.3339(13) -0.035(3) 0.0293(17) Uani 0.22(2) 1 d G U P B 2
H3_33 H 1.016676 0.324318 -0.096423 0.035 Uiso 0.22(2) 1 calc R U P B 2
C4_33 C 0.875(3) 0.3021(6) 0.034(4) 0.0300(17) Uani 0.22(2) 1 d G U P B 2
H4_33 H 0.888588 0.270828 0.019246 0.036 Uiso 0.22(2) 1 calc R U P B 2
C5_33 C 0.778(3) 0.3163(11) 0.125(3) 0.0301(18) Uani 0.22(2) 1 d G U P B 2
H5_33 H 0.726044 0.294649 0.172063 0.036 Uiso 0.22(2) 1 calc R U P B 2
C6_33 C 0.757(3) 0.3623(14) 0.147(3) 0.0291(18) Uani 0.22(2) 1 d G U P B 2
H6_33 H 0.691559 0.371967 0.209190 0.035 Uiso 0.22(2) 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_1 P1_1 2.2786(18) . ?
Pt1_1 P4_1 2.2796(17) . ?
Pt1_1 Si1_1 2.3316(18) . ?
Pt1_1 Pt2_1 2.6921(7) . ?
Pt2_1 P2_1 2.2501(19) . ?
Pt2_1 P3_1 2.2618(18) . ?
Pt2_1 Cl1_1 2.4419(18) . ?
P1_1 C2_1 1.820(7) . ?
P1_1 C3_1 1.839(6) . ?
P1_1 C1_1 1.839(7) . ?
P2_1 C5_1 1.815(7) . ?
P2_1 C4_1 1.822(7) . ?
P2_1 C3_1 1.834(7) . ?
P3_1 C10_1 1.826(7) . ?
P3_1 C9_1 1.833(7) . ?
P3_1 C8_1 1.842(7) . ?
P4_1 C6_1 1.817(7) . ?
P4_1 C7_1 1.832(7) . ?
P4_1 C8_1 1.832(7) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3AB_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9900 . ?
C8_1 H8AB_1 0.9900 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C11_1 Si1_1 1.888(7) . ?
C11_1 H11A_1 0.9800 . ?
C11_1 H11B_1 0.9800 . ?
C11_1 H11C_1 0.9800 . ?
Si1_1 C1_2 1.88(2) . ?
Si1_1 C1_22 1.88(3) . ?
Si1_1 Cl1_22 2.095(16) . ?
Si1_1 Cl1_2 2.159(4) . ?
C1_2 H1A_2 0.9800 . ?
C1_2 H1B_2 0.9800 . ?
C1_2 H1C_2 0.9800 . ?
C1_22 H1A_22 0.9800 . ?
C1_22 H1B_22 0.9800 . ?
C1_22 H1C_22 0.9800 . ?
C1_3 C6_3 1.366(14) . ?
C1_3 C2_3 1.372(14) . ?
C1_3 H1_3 0.9500 . ?
C2_3 C3_3 1.414(14) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.397(14) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.388(13) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.376(14) . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
C1_33 C2_33 1.3999 . ?
C1_33 C6_33 1.4000 . ?
C1_33 H1_33 0.9500 . ?
C2_33 C3_33 1.4000 . ?
C2_33 H2_33 0.9500 . ?
C3_33 C4_33 1.4000 . ?
C3_33 H3_33 0.9500 . ?
C4_33 C5_33 1.4000 . ?
C4_33 H4_33 0.9500 . ?
C5_33 C6_33 1.4000 . ?
C5_33 H5_33 0.9500 . ?
C6_33 H6_33 0.9500 . ?

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
P1_1 Pt1_1 P4_1 164.22(6) . . ?
P1_1 Pt1_1 Si1_1 93.57(6) . . ?
P4_1 Pt1_1 Si1_1 102.05(7) . . ?
P1_1 Pt1_1 Pt2_1 82.30(5) . . ?
P4_1 Pt1_1 Pt2_1 81.96(5) . . ?
Si1_1 Pt1_1 Pt2_1 167.24(5) . . ?
P2_1 Pt2_1 P3_1 167.03(6) . . ?
P2_1 Pt2_1 Cl1_1 96.66(7) . . ?
P3_1 Pt2_1 Cl1_1 96.16(7) . . ?
P2_1 Pt2_1 Pt1_1 84.67(5) . . ?
P3_1 Pt2_1 Pt1_1 82.39(5) . . ?
Cl1_1 Pt2_1 Pt1_1 175.69(5) . . ?
C2_1 P1_1 C3_1 100.6(3) . . ?
C2_1 P1_1 C1_1 101.3(4) . . ?
C3_1 P1_1 C1_1 105.2(3) . . ?
C2_1 P1_1 Pt1_1 125.5(3) . . ?
C3_1 P1_1 Pt1_1 111.5(2) . . ?
C1_1 P1_1 Pt1_1 110.5(2) . . ?
C5_1 P2_1 C4_1 103.4(4) . . ?
C5_1 P2_1 C3_1 104.0(3) . . ?
C4_1 P2_1 C3_1 103.0(3) . . ?
C5_1 P2_1 Pt2_1 118.9(3) . . ?
C4_1 P2_1 Pt2_1 117.9(2) . . ?
C3_1 P2_1 Pt2_1 107.7(2) . . ?
C10_1 P3_1 C9_1 102.7(4) . . ?
C10_1 P3_1 C8_1 103.7(3) . . ?
C9_1 P3_1 C8_1 105.2(3) . . ?
C10_1 P3_1 Pt2_1 115.9(2) . . ?
C9_1 P3_1 Pt2_1 118.2(3) . . ?
C8_1 P3_1 Pt2_1 109.6(2) . . ?
C6_1 P4_1 C7_1 99.7(4) . . ?
C6_1 P4_1 C8_1 105.0(3) . . ?
C7_1 P4_1 C8_1 102.7(3) . . ?
C6_1 P4_1 Pt1_1 113.2(3) . . ?
C7_1 P4_1 Pt1_1 125.1(3) . . ?
C8_1 P4_1 Pt1_1 109.0(2) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P2_1 C3_1 P1_1 108.4(3) . . ?
P2_1 C3_1 H3A_1 110.0 . . ?
P1_1 C3_1 H3A_1 110.0 . . ?
P2_1 C3_1 H3AB_1 110.0 . . ?
P1_1 C3_1 H3AB_1 110.0 . . ?
H3A_1 C3_1 H3AB_1 108.4 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
P4_1 C6_1 H6A_1 109.5 . . ?
P4_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
P4_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P4_1 C7_1 H7A_1 109.5 . . ?
P4_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P4_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P4_1 C8_1 P3_1 107.1(3) . . ?
P4_1 C8_1 H8A_1 110.3 . . ?
P3_1 C8_1 H8A_1 110.3 . . ?
P4_1 C8_1 H8AB_1 110.3 . . ?
P3_1 C8_1 H8AB_1 110.3 . . ?
H8A_1 C8_1 H8AB_1 108.5 . . ?
P3_1 C9_1 H9A_1 109.5 . . ?
P3_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P3_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P3_1 C10_1 H10A_1 109.5 . . ?
P3_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
P3_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
Si1_1 C11_1 H11A_1 109.5 . . ?
Si1_1 C11_1 H11B_1 109.5 . . ?
H11A_1 C11_1 H11B_1 109.5 . . ?
Si1_1 C11_1 H11C_1 109.5 . . ?
H11A_1 C11_1 H11C_1 109.5 . . ?
H11B_1 C11_1 H11C_1 109.5 . . ?
C1_2 Si1_1 C11_1 101.6(12) . . ?
C1_22 Si1_1 C11_1 93.8(15) . . ?
C1_22 Si1_1 Cl1_22 103.0(19) . . ?
C11_1 Si1_1 Cl1_22 100.6(7) . . ?
C1_2 Si1_1 Cl1_2 98.6(11) . . ?
C11_1 Si1_1 Cl1_2 101.1(3) . . ?
C1_2 Si1_1 Pt1_1 120.6(12) . . ?
C1_22 Si1_1 Pt1_1 110.8(17) . . ?
C11_1 Si1_1 Pt1_1 124.7(2) . . ?
Cl1_22 Si1_1 Pt1_1 119.3(7) . . ?
Cl1_2 Si1_1 Pt1_1 105.62(14) . . ?
Si1_1 C1_2 H1A_2 109.5 . . ?
Si1_1 C1_2 H1B_2 109.5 . . ?
H1A_2 C1_2 H1B_2 109.5 . . ?
Si1_1 C1_2 H1C_2 109.5 . . ?
H1A_2 C1_2 H1C_2 109.5 . . ?
H1B_2 C1_2 H1C_2 109.5 . . ?
Si1_1 C1_22 H1A_22 109.5 . . ?
Si1_1 C1_22 H1B_22 109.5 . . ?
H1A_22 C1_22 H1B_22 109.5 . . ?
Si1_1 C1_22 H1C_22 109.5 . . ?
H1A_22 C1_22 H1C_22 109.5 . . ?
H1B_22 C1_22 H1C_22 109.5 . . ?
C6_3 C1_3 C2_3 121.0(10) . . ?
C6_3 C1_3 H1_3 119.5 . . ?
C2_3 C1_3 H1_3 119.5 . . ?
C1_3 C2_3 C3_3 118.6(9) . . ?
C1_3 C2_3 H2_3 120.7 . . ?
C3_3 C2_3 H2_3 120.7 . . ?
C4_3 C3_3 C2_3 120.5(9) . . ?
C4_3 C3_3 H3_3 119.8 . . ?
C2_3 C3_3 H3_3 119.8 . . ?
C5_3 C4_3 C3_3 118.6(9) . . ?
C5_3 C4_3 H4_3 120.7 . . ?
C3_3 C4_3 H4_3 120.7 . . ?
C6_3 C5_3 C4_3 120.5(10) . . ?
C6_3 C5_3 H5_3 119.8 . . ?
C4_3 C5_3 H5_3 119.8 . . ?
C1_3 C6_3 C5_3 120.8(10) . . ?
C1_3 C6_3 H6_3 119.6 . . ?
C5_3 C6_3 H6_3 119.6 . . ?
C2_33 C1_33 C6_33 120.0 . . ?
C2_33 C1_33 H1_33 120.0 . . ?
C6_33 C1_33 H1_33 120.0 . . ?
C1_33 C2_33 C3_33 120.0 . . ?
C1_33 C2_33 H2_33 120.0 . . ?
C3_33 C2_33 H2_33 120.0 . . ?
C4_33 C3_33 C2_33 120.0 . . ?
C4_33 C3_33 H3_33 120.0 . . ?
C2_33 C3_33 H3_33 120.0 . . ?
C5_33 C4_33 C3_33 120.0 . . ?
C5_33 C4_33 H4_33 120.0 . . ?
C3_33 C4_33 H4_33 120.0 . . ?
C4_33 C5_33 C6_33 120.0 . . ?
C4_33 C5_33 H5_33 120.0 . . ?
C6_33 C5_33 H5_33 120.0 . . ?
C1_33 C6_33 C5_33 120.0 . . ?
C1_33 C6_33 H6_33 120.0 . . ?
C5_33 C6_33 H6_33 120.0 . . ?

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
C5_1 P2_1 C3_1 P1_1 -157.5(4) . . . . ?
C4_1 P2_1 C3_1 P1_1 94.8(4) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -30.5(4) . . . . ?
C2_1 P1_1 C3_1 P2_1 -155.5(4) . . . . ?
C1_1 P1_1 C3_1 P2_1 99.6(4) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 -20.3(4) . . . . ?
C6_1 P4_1 C8_1 P3_1 93.9(4) . . . . ?
C7_1 P4_1 C8_1 P3_1 -162.3(4) . . . . ?
Pt1_1 P4_1 C8_1 P3_1 -27.7(4) . . . . ?
C10_1 P3_1 C8_1 P4_1 98.9(4) . . . . ?
C9_1 P3_1 C8_1 P4_1 -153.6(4) . . . . ?
Pt2_1 P3_1 C8_1 P4_1 -25.4(4) . . . . ?
C6_3 C1_3 C2_3 C3_3 -0.6(14) . . . . ?
C1_3 C2_3 C3_3 C4_3 -0.2(14) . . . . ?
C2_3 C3_3 C4_3 C5_3 0.6(13) . . . . ?
C3_3 C4_3 C5_3 C6_3 -0.3(14) . . . . ?
C2_3 C1_3 C6_3 C5_3 0.9(15) . . . . ?
C4_3 C5_3 C6_3 C1_3 -0.4(14) . . . . ?
C6_33 C1_33 C2_33 C3_33 0.0 . . . . ?
C1_33 C2_33 C3_33 C4_33 0.0 . . . . ?
C2_33 C3_33 C4_33 C5_33 0.0 . . . . ?
C3_33 C4_33 C5_33 C6_33 0.0 . . . . ?
C2_33 C1_33 C6_33 C5_33 0.0 . . . . ?
C4_33 C5_33 C6_33 C1_33 0.0 . . . . ?

_refine_diff_density_max         0.992
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.207


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene/pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_final_a_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2406843'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT971_final_a             
;
PROBLEM: Check Calcd Resid. Dens.  0.89Ang From Pt2_1           7.12 eA-3  
RESPONSE: The residual electron density results from a second 
diplatinum complex, most likely the other product of the reaction,
 6Cl-dbm, overlapping with 6Cl-dcm. As this byproduct respresents
less than 2% of the sample, attempts to model the disorder failed.
;

_audit_creation_method           'CIF-fill 1.5e (K.Radacki, 2005-23)'
_audit_creation_date             2024-09-30
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C10 H28 Cl4 P4 Pt2 Si, 0.5(C6 H6)'
_chemical_formula_sum            'C13 H31 Cl4 P4 Pt2 Si'
_chemical_formula_weight         871.33
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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   16.205(3)
_cell_length_b                   12.4401(17)
_cell_length_c                   12.880(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.351(9)
_cell_angle_gamma                90
_cell_volume                     2526.3(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    886
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      22.39

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.291
_exptl_crystal_F_000             1628
_exptl_crystal_size_max          0.113
_exptl_crystal_size_mid          0.104
_exptl_crystal_size_min          0.066
_exptl_absorpt_coefficient_mu    11.785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5235
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in 
 benzene pentane. For data collection the crystal was immersed in a film of 
 perfluoropolyether oil, mounted on a polyimide loop and transferred to 
 stream of cold nitrogen (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.349
_shelx_estimated_absorpt_T_max   0.510
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      -0.0727140
_diffrn_orient_matrix_UB_12      0.0133883
_diffrn_orient_matrix_UB_13      -0.0365933
_diffrn_orient_matrix_UB_21      -0.0323342
_diffrn_orient_matrix_UB_22      -0.0423622
_diffrn_orient_matrix_UB_23      0.0401652
_diffrn_orient_matrix_UB_31      -0.0059146
_diffrn_orient_matrix_UB_32      0.0669926
_diffrn_orient_matrix_UB_33      0.0327111
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            68532
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_av_R_equivalents  0.0724
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.085
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_standards_number         0
_reflns_number_total             4976
_reflns_number_gt                4670
_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2014/5 (Sheldrick, 2014)'"
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'

_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)+(0.0308P)²+24.8312P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4976
_refine_ls_number_parameters     226
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0294
_refine_ls_wR_factor_ref         0.0752
_refine_ls_wR_factor_gt          0.0736
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         6.522
_refine_diff_density_min         -1.657
_refine_diff_density_rms         0.197
_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_
_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
Pt2_1 Pt 0.67922(2) 0.56915(2) 0.50272(2) 0.01516(8) Uani 1 1 d . . . . .
Cl4_1 Cl 0.62767(12) 0.69562(13) 0.35780(13) 0.0288(4) Uani 1 1 d . . . . .
Pt1_1 Pt 0.84390(2) 0.38978(2) 0.62863(2) 0.01437(8) Uani 1 1 d . . . . .
Si1_1 Si 0.71751(10) 0.45723(14) 0.64325(13) 0.0154(3) Uani 1 1 d . . . . .
Cl1_1 Cl 0.97954(10) 0.30924(14) 0.61788(14) 0.0274(4) Uani 1 1 d . . . . .
Cl2_1 Cl 0.71565(10) 0.52859(13) 0.79296(12) 0.0226(3) Uani 1 1 d . . . . .
Cl3_1 Cl 0.62516(10) 0.33909(12) 0.65780(12) 0.0205(3) Uani 1 1 d . . . . .
P1_1 P 0.77547(10) 0.26877(13) 0.50279(12) 0.0158(3) Uani 1 1 d . . . . .
P2_1 P 0.62485(10) 0.42735(13) 0.39470(12) 0.0160(3) Uani 1 1 d . . . . .
P3_1 P 0.77397(10) 0.69720(13) 0.58757(13) 0.0168(3) Uani 1 1 d . . . . .
P4_1 P 0.91216(10) 0.53561(13) 0.71930(13) 0.0172(3) Uani 1 1 d . . . . .
C1_1 C 0.8295(4) 0.2608(6) 0.3940(5) 0.0246(14) Uani 1 1 d . . . . .
H1A_1 H 0.801085 0.207604 0.341657 0.037 Uiso 1 1 calc R U . . .
H1B_1 H 0.888598 0.239283 0.422083 0.037 Uiso 1 1 calc R U . . .
H1C_1 H 0.827872 0.331251 0.359478 0.037 Uiso 1 1 calc R U . . .
C2_1 C 0.7739(5) 0.1313(5) 0.5486(6) 0.0252(14) Uani 1 1 d . . . . .
H2A_1 H 0.749096 0.084660 0.488113 0.038 Uiso 1 1 calc R U . . .
H2B_1 H 0.739689 0.126997 0.602145 0.038 Uiso 1 1 calc R U . . .
H2C_1 H 0.831904 0.107757 0.580468 0.038 Uiso 1 1 calc R U . . .
C3_1 C 0.6651(4) 0.2900(5) 0.4319(5) 0.0182(12) Uani 1 1 d . . . . .
H3A_1 H 0.628881 0.258403 0.476296 0.022 Uiso 1 1 calc R U . . .
H3AB_1 H 0.655369 0.247238 0.365362 0.022 Uiso 1 1 calc R U . . .
C4_1 C 0.6517(4) 0.4469(5) 0.2663(5) 0.0210(13) Uani 1 1 d . . . . .
H4A_1 H 0.630952 0.385667 0.219686 0.032 Uiso 1 1 calc R U . . .
H4B_1 H 0.713390 0.452341 0.276901 0.032 Uiso 1 1 calc R U . . .
H4C_1 H 0.625141 0.513115 0.233325 0.032 Uiso 1 1 calc R U . . .
C5_1 C 0.5106(4) 0.4075(6) 0.3625(6) 0.0253(14) Uani 1 1 d . . . . .
H5A_1 H 0.482412 0.473381 0.330845 0.038 Uiso 1 1 calc R U . . .
H5B_1 H 0.491953 0.390318 0.427776 0.038 Uiso 1 1 calc R U . . .
H5C_1 H 0.495815 0.348133 0.311610 0.038 Uiso 1 1 calc R U . . .
C6_1 C 0.7333(5) 0.8223(6) 0.6275(7) 0.0311(17) Uani 1 1 d . . . . .
H6A_1 H 0.701393 0.860208 0.564118 0.047 Uiso 1 1 calc R U . . .
H6B_1 H 0.780605 0.867307 0.664517 0.047 Uiso 1 1 calc R U . . .
H6C_1 H 0.695731 0.807155 0.675456 0.047 Uiso 1 1 calc R U . . .
C7_1 C 0.8357(5) 0.7383(7) 0.4943(6) 0.0337(18) Uani 1 1 d . . . . .
H7A_1 H 0.797687 0.765754 0.429131 0.051 Uiso 1 1 calc R U . . .
H7B_1 H 0.867399 0.676594 0.476578 0.051 Uiso 1 1 calc R U . . .
H7C_1 H 0.875423 0.795017 0.526440 0.051 Uiso 1 1 calc R U . . .
C8_1 C 0.8547(4) 0.6644(5) 0.7089(5) 0.0191(13) Uani 1 1 d . . . . .
H8A_1 H 0.826823 0.667941 0.769578 0.023 Uiso 1 1 calc R U . . .
H8AB_1 H 0.897623 0.722398 0.719673 0.023 Uiso 1 1 calc R U . . .
C9_1 C 1.0070(4) 0.5716(6) 0.6742(6) 0.0263(15) Uani 1 1 d . . . . .
H9A_1 H 0.991188 0.591216 0.598529 0.039 Uiso 1 1 calc R U . . .
H9B_1 H 1.045842 0.510125 0.683888 0.039 Uiso 1 1 calc R U . . .
H9C_1 H 1.034921 0.632706 0.715956 0.039 Uiso 1 1 calc R U . . .
C10_1 C 0.9508(5) 0.5187(6) 0.8625(5) 0.0248(14) Uani 1 1 d . . . . .
H10A_1 H 0.987750 0.455448 0.876550 0.037 Uiso 1 1 calc R U . . .
H10B_1 H 0.902649 0.508937 0.895596 0.037 Uiso 1 1 calc R U . . .
H10C_1 H 0.982948 0.582692 0.892457 0.037 Uiso 1 1 calc R U . . .
C1_2 C 0.5438(4) 0.9444(6) 0.4367(5) 0.0230(14) Uani 1 1 d . . . . .
H1_2 H 0.574033 0.906234 0.393416 0.028 Uiso 1 1 calc R U . . .
C2_2 C 0.5137(4) 0.8905(6) 0.5150(6) 0.0249(14) Uani 1 1 d . . . . .
H2_2 H 0.523022 0.815445 0.524965 0.030 Uiso 1 1 calc R U . . .
C3_2 C 0.4701(4) 0.9462(5) 0.5783(5) 0.0230(14) Uani 1 1 d . . . . .
H3_2 H 0.449755 0.909534 0.632095 0.028 Uiso 1 1 calc R U . . .


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
Pt2_1 Si1_1 2.2541(17) . ?
Pt2_1 P2_1 2.2928(16) . ?
Pt2_1 P3_1 2.3054(17) . ?
Pt2_1 Cl4_1 2.4366(16) . ?
Pt1_1 Si1_1 2.2610(17) . ?
Pt1_1 P4_1 2.2983(17) . ?
Pt1_1 P1_1 2.3006(16) . ?
Pt1_1 Cl1_1 2.4486(16) . ?
Si1_1 Cl2_1 2.129(2) . ?
Si1_1 Cl3_1 2.136(2) . ?
P1_1 C2_1 1.812(7) . ?
P1_1 C1_1 1.819(6) . ?
P1_1 C3_1 1.830(6) . ?
P2_1 C5_1 1.819(7) . ?
P2_1 C4_1 1.820(6) . ?
P2_1 C3_1 1.852(7) . ?
P3_1 C7_1 1.806(7) . ?
P3_1 C6_1 1.811(7) . ?
P3_1 C8_1 1.837(6) . ?
P4_1 C10_1 1.818(7) . ?
P4_1 C9_1 1.819(7) . ?
P4_1 C8_1 1.842(6) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3AB_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9900 . ?
C8_1 H8AB_1 0.9900 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C1_2 C3_2 1.385(10) 3_676 ?
C1_2 C2_2 1.391(10) . ?
C1_2 H1_2 0.9500 . ?
C2_2 C3_2 1.382(10) . ?
C2_2 H2_2 0.9500 . ?
C3_2 H3_2 0.9500 . ?

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
Si1_1 Pt2_1 P2_1 90.46(6) . . ?
Si1_1 Pt2_1 P3_1 90.94(6) . . ?
P2_1 Pt2_1 P3_1 160.02(6) . . ?
Si1_1 Pt2_1 Cl4_1 174.92(6) . . ?
P2_1 Pt2_1 Cl4_1 90.93(6) . . ?
P3_1 Pt2_1 Cl4_1 89.43(6) . . ?
Si1_1 Pt1_1 P4_1 90.21(6) . . ?
Si1_1 Pt1_1 P1_1 90.17(6) . . ?
P4_1 Pt1_1 P1_1 166.32(6) . . ?
Si1_1 Pt1_1 Cl1_1 177.24(6) . . ?
P4_1 Pt1_1 Cl1_1 91.07(6) . . ?
P1_1 Pt1_1 Cl1_1 89.16(6) . . ?
Cl2_1 Si1_1 Cl3_1 92.90(9) . . ?
Cl2_1 Si1_1 Pt2_1 114.26(9) . . ?
Cl3_1 Si1_1 Pt2_1 115.26(9) . . ?
Cl2_1 Si1_1 Pt1_1 115.64(9) . . ?
Cl3_1 Si1_1 Pt1_1 114.73(9) . . ?
Pt2_1 Si1_1 Pt1_1 104.42(7) . . ?
C2_1 P1_1 C1_1 104.2(3) . . ?
C2_1 P1_1 C3_1 102.3(3) . . ?
C1_1 P1_1 C3_1 102.3(3) . . ?
C2_1 P1_1 Pt1_1 115.4(2) . . ?
C1_1 P1_1 Pt1_1 109.8(2) . . ?
C3_1 P1_1 Pt1_1 120.9(2) . . ?
C5_1 P2_1 C4_1 104.8(3) . . ?
C5_1 P2_1 C3_1 102.3(3) . . ?
C4_1 P2_1 C3_1 102.4(3) . . ?
C5_1 P2_1 Pt2_1 118.1(2) . . ?
C4_1 P2_1 Pt2_1 108.0(2) . . ?
C3_1 P2_1 Pt2_1 119.3(2) . . ?
C7_1 P3_1 C6_1 103.9(4) . . ?
C7_1 P3_1 C8_1 103.5(3) . . ?
C6_1 P3_1 C8_1 100.6(3) . . ?
C7_1 P3_1 Pt2_1 106.9(3) . . ?
C6_1 P3_1 Pt2_1 118.8(2) . . ?
C8_1 P3_1 Pt2_1 121.0(2) . . ?
C10_1 P4_1 C9_1 103.5(3) . . ?
C10_1 P4_1 C8_1 103.0(3) . . ?
C9_1 P4_1 C8_1 102.3(3) . . ?
C10_1 P4_1 Pt1_1 115.9(2) . . ?
C9_1 P4_1 Pt1_1 112.0(2) . . ?
C8_1 P4_1 Pt1_1 118.3(2) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P1_1 C3_1 P2_1 120.5(3) . . ?
P1_1 C3_1 H3A_1 107.2 . . ?
P2_1 C3_1 H3A_1 107.2 . . ?
P1_1 C3_1 H3AB_1 107.2 . . ?
P2_1 C3_1 H3AB_1 107.2 . . ?
H3A_1 C3_1 H3AB_1 106.8 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
P3_1 C6_1 H6A_1 109.5 . . ?
P3_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
P3_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P3_1 C7_1 H7A_1 109.5 . . ?
P3_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P3_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P3_1 C8_1 P4_1 120.3(3) . . ?
P3_1 C8_1 H8A_1 107.3 . . ?
P4_1 C8_1 H8A_1 107.3 . . ?
P3_1 C8_1 H8AB_1 107.3 . . ?
P4_1 C8_1 H8AB_1 107.3 . . ?
H8A_1 C8_1 H8AB_1 106.9 . . ?
P4_1 C9_1 H9A_1 109.5 . . ?
P4_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P4_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P4_1 C10_1 H10A_1 109.5 . . ?
P4_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
P4_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
C3_2 C1_2 C2_2 120.1(6) 3_676 . ?
C3_2 C1_2 H1_2 119.9 3_676 . ?
C2_2 C1_2 H1_2 119.9 . . ?
C3_2 C2_2 C1_2 119.9(6) . . ?
C3_2 C2_2 H2_2 120.0 . . ?
C1_2 C2_2 H2_2 120.0 . . ?
C2_2 C3_2 C1_2 119.9(6) . 3_676 ?
C2_2 C3_2 H3_2 120.0 . . ?
C1_2 C3_2 H3_2 120.0 3_676 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2_1 P1_1 C3_1 P2_1 165.9(4) . . . . ?
C1_1 P1_1 C3_1 P2_1 -86.3(4) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 36.0(5) . . . . ?
C5_1 P2_1 C3_1 P1_1 -164.9(4) . . . . ?
C4_1 P2_1 C3_1 P1_1 86.8(4) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -32.4(5) . . . . ?
C7_1 P3_1 C8_1 P4_1 -78.2(5) . . . . ?
C6_1 P3_1 C8_1 P4_1 174.6(4) . . . . ?
Pt2_1 P3_1 C8_1 P4_1 41.4(5) . . . . ?
C10_1 P4_1 C8_1 P3_1 -159.1(4) . . . . ?
C9_1 P4_1 C8_1 P3_1 93.7(4) . . . . ?
Pt1_1 P4_1 C8_1 P3_1 -29.9(5) . . . . ?
C3_2 C1_2 C2_2 C3_2 -0.3(11) 3_676 . . . ?
C1_2 C2_2 C3_2 C1_2 0.3(11) . . . 3_676 ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/Pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_final_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2406901'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.6i (K.Radacki, 2005-25)'
_audit_creation_date             2025-10-29
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         
'C11 H30 Br3 Cl3 P4 Pt2 Si, [0.5 (C5 H12) squeezed]'
_chemical_formula_sum            
'C13.5 H35 Br3 Cl3 P4 Pt2 Si, [half a pentane squeezed]'
_chemical_formula_weight         1085.64
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'
Si Si 0.0817 0.0704 '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'
Br Br -0.2901 2.4595 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'
_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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'


_cell_length_a                   36.1930(9)
_cell_length_b                   36.1930(9)
_cell_length_c                   11.8809(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     13478.1(9)
_cell_formula_units_Z            24
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8390
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      27.08

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.210
_exptl_crystal_F_000             8676
_exptl_crystal_size_max          0.159
_exptl_crystal_size_mid          0.143
_exptl_crystal_size_min          0.089
_exptl_absorpt_coefficient_mu    18.476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1140
_exptl_absorpt_correction_T_max  0.1819
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 1.32 was 
 applied.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2.00 -2.00 1.00 0.0540
-2.00 0.00 1.00 0.0790
-2.00 2.00 1.00 0.0870
-2.00 1.00 0.00 0.0810
-2.00 -2.00 -1.00 0.0700
-1.00 -1.00 1.00 0.0230
-1.00 1.00 1.00 0.0540
-1.00 2.00 1.00 0.0610
0.00 1.00 0.00 0.0710
0.00 -1.00 2.00 0.0780
0.00 1.00 -1.00 0.0840
1.00 2.00 -1.00 0.0690
1.00 -1.00 -1.00 0.0180
1.00 -2.00 -1.00 0.0150
2.00 1.00 -2.00 0.0510
2.00 -1.00 -2.00 0.0300
2.00 0.00 -1.00 0.0490
2.00 -2.00 -1.00 0.0460
2.00 2.00 1.00 0.0720

_shelx_estimated_absorpt_T_min   0.217
_shelx_estimated_absorpt_T_max   0.372
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      -0.0138667
_diffrn_orient_matrix_UB_12      -0.0174564
_diffrn_orient_matrix_UB_13      -0.0686911
_diffrn_orient_matrix_UB_21      0.0260132
_diffrn_orient_matrix_UB_22      0.0190416
_diffrn_orient_matrix_UB_23      -0.0451291
_diffrn_orient_matrix_UB_31      0.0122022
_diffrn_orient_matrix_UB_32      -0.0187231
_diffrn_orient_matrix_UB_33      0.0181471
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            34238
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_av_R_equivalents  0.0804
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.251
_diffrn_reflns_theta_max         27.118
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_standards_number         0
_reflns_number_total             6624
_reflns_number_gt                5405
_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. 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.
;

_computing_data_collection       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_refine_special_details          
;
 Two low-resolution reflections, that were affected by beamstop, were removed 
 from refinemet ( (-1 2 0) (0 2 1) ). The unit cell contains pentane molecules
disordered and positioned around symmetry operators, which could not be 
adequately modelled and have been treated as a diffuse contribution to the overall 
 scattering without specific atom positions by the Platon program Squeeze.
393 electrons were thus removed from the unit cell, corresponding to 9.4 pentane
molecules, i.e. ca. 0.5 per asymmetric unit.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0180P)²] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6624
_refine_ls_number_parameters     225
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0709
_refine_ls_wR_factor_gt          0.0670
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.023
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.187
_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_
_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 0.51428(2) 0.62169(2) 0.65418(2) 0.01823(7) Uani 1 1 d . . . . .
Pt2 Pt 0.53232(2) 0.56065(2) 0.83875(2) 0.01847(7) Uani 1 1 d . . . . .
Br1 Br 0.56397(2) 0.68389(2) 0.77263(5) 0.03109(16) Uani 1 1 d . . . . .
Br2 Br 0.59634(2) 0.61310(2) 0.93768(5) 0.02789(15) Uani 1 1 d . . . . .
Br3 Br 0.46960(2) 0.50200(2) 0.74916(6) 0.02699(15) Uani 1 1 d . . . . .
Cl1 Cl 0.50308(6) 0.65399(6) 0.35214(14) 0.0335(4) Uani 1 1 d . . . . .
Cl2 Cl 0.41569(6) 0.56271(6) 0.31590(14) 0.0354(4) Uani 1 1 d . . . . .
Cl3 Cl 0.41970(6) 0.62925(6) 0.50598(14) 0.0315(4) Uani 1 1 d . . . . .
P1 P 0.57228(5) 0.63199(6) 0.54919(13) 0.0224(4) Uani 1 1 d . . . . .
P2 P 0.57722(5) 0.56301(5) 0.69886(13) 0.0205(3) Uani 1 1 d . . . . .
P3 P 0.46174(6) 0.60949(5) 0.78326(13) 0.0220(4) Uani 1 1 d . . . . .
P4 P 0.48929(6) 0.56592(6) 0.97259(13) 0.0234(4) Uani 1 1 d . . . . .
Si1 Si 0.45467(6) 0.60421(6) 0.43919(15) 0.0247(4) Uani 1 1 d . . . . .
C1 C 0.6110(2) 0.6869(2) 0.5138(6) 0.0368(18) Uani 1 1 d . . . . .
H1A H 0.637622 0.688586 0.489127 0.055 Uiso 1 1 calc R U . . .
H1B H 0.616519 0.705021 0.580152 0.055 Uiso 1 1 calc R U . . .
H1C H 0.599672 0.696710 0.452999 0.055 Uiso 1 1 calc R U . . .
C7 C 0.4090(2) 0.5629(2) 0.7673(6) 0.0300(16) Uani 1 1 d . . . . .
H7A H 0.396010 0.565314 0.697398 0.045 Uiso 1 1 calc R U . . .
H7B H 0.391127 0.561000 0.831357 0.045 Uiso 1 1 calc R U . . .
H7C H 0.411515 0.537134 0.764391 0.045 Uiso 1 1 calc R U . . .
C8 C 0.4767(2) 0.6068(2) 0.9298(5) 0.0264(15) Uani 1 1 d . . . . .
H8A H 0.501873 0.634799 0.947960 0.032 Uiso 1 1 calc R U . . .
H8B H 0.453090 0.603632 0.978328 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5114(2) 0.5845(3) 1.1116(5) 0.0369(18) Uani 1 1 d . . . . .
H9A H 0.538779 0.611099 1.104975 0.055 Uiso 1 1 calc R U . . .
H9B H 0.515678 0.562872 1.149090 0.055 Uiso 1 1 calc R U . . .
H9C H 0.491597 0.589755 1.155993 0.055 Uiso 1 1 calc R U . . .
C10 C 0.4384(2) 0.5192(2) 1.0063(6) 0.0310(16) Uani 1 1 d . . . . .
H10A H 0.421618 0.507862 0.937257 0.047 Uiso 1 1 calc R U . . .
H10B H 0.422803 0.527147 1.059286 0.047 Uiso 1 1 calc R U . . .
H10C H 0.443314 0.497387 1.040444 0.047 Uiso 1 1 calc R U . . .
C11 C 0.4708(2) 0.5775(2) 0.5388(5) 0.0222(13) Uani 1 1 d . . . . .
H11A H 0.484265 0.563263 0.498504 0.027 Uiso 1 1 calc R U . . .
H11B H 0.445500 0.555332 0.579397 0.027 Uiso 1 1 calc R U . . .
C2 C 0.5659(2) 0.6058(2) 0.4141(5) 0.0304(16) Uani 1 1 d . . . . .
H2A H 0.553378 0.616819 0.359809 0.046 Uiso 1 1 calc R U . . .
H2B H 0.547022 0.574975 0.422962 0.046 Uiso 1 1 calc R U . . .
H2C H 0.593801 0.611512 0.386783 0.046 Uiso 1 1 calc R U . . .
C3 C 0.6043(2) 0.6154(2) 0.6304(5) 0.0236(14) Uani 1 1 d . . . . .
H3A H 0.619384 0.637157 0.689555 0.028 Uiso 1 1 calc R U . . .
H3B H 0.626320 0.616170 0.579627 0.028 Uiso 1 1 calc R U . . .
C4 C 0.6214(2) 0.5559(2) 0.7452(6) 0.0311(16) Uani 1 1 d . . . . .
H4A H 0.639962 0.559684 0.681034 0.047 Uiso 1 1 calc R U . . .
H4B H 0.610136 0.527215 0.776386 0.047 Uiso 1 1 calc R U . . .
H4C H 0.637836 0.577150 0.803207 0.047 Uiso 1 1 calc R U . . .
C5 C 0.5530(2) 0.5243(2) 0.5873(5) 0.0293(16) Uani 1 1 d . . . . .
H5A H 0.528368 0.525449 0.557245 0.044 Uiso 1 1 calc R U . . .
H5B H 0.543542 0.495659 0.617050 0.044 Uiso 1 1 calc R U . . .
H5C H 0.573853 0.530700 0.527163 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4508(2) 0.6531(2) 0.7988(6) 0.0337(17) Uani 1 1 d . . . . .
H6A H 0.441139 0.658436 0.726636 0.051 Uiso 1 1 calc R U . . .
H6B H 0.476784 0.678950 0.822724 0.051 Uiso 1 1 calc R U . . .
H6C H 0.428427 0.645545 0.855564 0.051 Uiso 1 1 calc R U . . .


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 C11 2.097(6) . ?
Pt1 P1 2.3064(17) . ?
Pt1 P3 2.3073(17) . ?
Pt1 Br1 2.4968(7) . ?
Pt2 P2 2.2959(16) . ?
Pt2 P4 2.2995(17) . ?
Pt2 Br2 2.4403(7) . ?
Pt2 Br3 2.4440(7) . ?
Cl1 Si1 2.057(3) . ?
Cl2 Si1 2.067(2) . ?
Cl3 Si1 2.049(3) . ?
P1 C1 1.818(7) . ?
P1 C2 1.819(6) . ?
P1 C3 1.824(6) . ?
P2 C5 1.806(6) . ?
P2 C4 1.827(7) . ?
P2 C3 1.834(6) . ?
P3 C7 1.818(7) . ?
P3 C6 1.821(7) . ?
P3 C8 1.841(6) . ?
P4 C9 1.812(7) . ?
P4 C10 1.816(7) . ?
P4 C8 1.823(7) . ?
Si1 C11 1.801(6) . ?

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
C11 Pt1 P1 92.55(18) . . ?
C11 Pt1 P3 93.24(18) . . ?
P1 Pt1 P3 170.72(6) . . ?
C11 Pt1 Br1 169.71(17) . . ?
P1 Pt1 Br1 88.40(5) . . ?
P3 Pt1 Br1 87.20(5) . . ?
P2 Pt2 P4 173.53(6) . . ?
P2 Pt2 Br2 86.60(4) . . ?
P4 Pt2 Br2 91.23(5) . . ?
P2 Pt2 Br3 92.85(4) . . ?
P4 Pt2 Br3 89.98(5) . . ?
Br2 Pt2 Br3 173.55(3) . . ?
C1 P1 C2 101.1(4) . . ?
C1 P1 C3 102.3(3) . . ?
C2 P1 C3 103.4(3) . . ?
C1 P1 Pt1 116.3(3) . . ?
C2 P1 Pt1 121.6(2) . . ?
C3 P1 Pt1 109.7(2) . . ?
C5 P2 C4 103.4(3) . . ?
C5 P2 C3 106.2(3) . . ?
C4 P2 C3 103.1(3) . . ?
C5 P2 Pt2 116.2(2) . . ?
C4 P2 Pt2 115.4(2) . . ?
C3 P2 Pt2 111.2(2) . . ?
C7 P3 C6 103.5(3) . . ?
C7 P3 C8 104.5(3) . . ?
C6 P3 C8 98.5(3) . . ?
C7 P3 Pt1 119.4(2) . . ?
C6 P3 Pt1 114.7(2) . . ?
C8 P3 Pt1 113.7(2) . . ?
C9 P4 C10 101.5(3) . . ?
C9 P4 C8 101.2(3) . . ?
C10 P4 C8 105.6(3) . . ?
C9 P4 Pt2 118.1(2) . . ?
C10 P4 Pt2 119.3(2) . . ?
C8 P4 Pt2 109.2(2) . . ?
C11 Si1 Cl3 114.9(2) . . ?
C11 Si1 Cl1 116.0(2) . . ?
Cl3 Si1 Cl1 104.55(11) . . ?
C11 Si1 Cl2 111.2(2) . . ?
Cl3 Si1 Cl2 104.33(11) . . ?
Cl1 Si1 Cl2 104.67(11) . . ?
P4 C8 P3 120.4(3) . . ?
Si1 C11 Pt1 109.9(3) . . ?
P1 C3 P2 118.4(3) . . ?

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
C9 P4 C8 P3 169.2(4) . . . . ?
C10 P4 C8 P3 -85.4(5) . . . . ?
Pt2 P4 C8 P3 44.0(5) . . . . ?
C7 P3 C8 P4 70.5(5) . . . . ?
C6 P3 C8 P4 176.9(4) . . . . ?
Pt1 P3 C8 P4 -61.3(5) . . . . ?
Cl3 Si1 C11 Pt1 -66.5(3) . . . . ?
Cl1 Si1 C11 Pt1 55.9(3) . . . . ?
Cl2 Si1 C11 Pt1 175.3(2) . . . . ?
C1 P1 C3 P2 173.4(4) . . . . ?
C2 P1 C3 P2 -81.8(4) . . . . ?
Pt1 P1 C3 P2 49.3(4) . . . . ?
C5 P2 C3 P1 61.1(4) . . . . ?
C4 P2 C3 P1 169.5(4) . . . . ?
Pt2 P2 C3 P1 -66.2(4) . . . . ?



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/Pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_final_a_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 2406494'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.4a (K.Radacki, 2005-23)'
_audit_creation_date             2023-04-24
_shelx_SHELXL_version_number     2018/3
_chemical_formula_moiety         'C11 H30 Br2 P4 Pt2, 2(C6 H6)'
_chemical_formula_sum            'C23 H42 Br2 P4 Pt2'
_chemical_formula_weight         992.44
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
_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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'


_cell_length_a                   8.8989(15)
_cell_length_b                   14.2185(17)
_cell_length_c                   24.703(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3125.6(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9929
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      30.51
_cell_special_details            
;
 Uncertainties of the unit cell parameters were calculated as standard 
 deviations of 32 cells obtained from a subset of all reflections. These sets 
 of refelctions were selected using the Monte Carlo method.
;

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.109
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.106
_exptl_crystal_size_mid          0.103
_exptl_crystal_size_min          0.034
_exptl_absorpt_coefficient_mu    11.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6251
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in dbm. 
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.370
_shelx_estimated_absorpt_T_max   0.692
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0,0865092
_diffrn_orient_matrix_UB_12      -0,0043594
_diffrn_orient_matrix_UB_13      0,0257047
_diffrn_orient_matrix_UB_21      0,0717086
_diffrn_orient_matrix_UB_22      0,0066041
_diffrn_orient_matrix_UB_23      -0,0309443
_diffrn_orient_matrix_UB_31      -0,0013950
_diffrn_orient_matrix_UB_32      0,0698842
_diffrn_orient_matrix_UB_33      0,0045271
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            135267
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_av_R_equivalents  0.0722
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.184
_diffrn_reflns_theta_max         30.519
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9541
_reflns_number_gt                8885
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.796
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    'SHELXS 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'

_refine_special_details          
;
Refined as an inversion twin, with BASF = 1.2%. 
The asymmetric unit contains two benzene molecules, of which one was modelled
as twofold disordered (RESI 2/3 BENZ) in a 47:53 ratio. All benzene solvent 
rings were idealized with AFIX 66 and their ADPs restrained to similarity
with SIMU 0.004.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+5.8067P] 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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.012(7)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         9541
_refine_ls_number_parameters     308
_refine_ls_number_restraints     216
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_ref         0.0437
_refine_ls_wR_factor_gt          0.0422
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.099
_refine_ls_shift/su_max          0.003
_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_1 Pt 1.01680(2) 0.45321(2) 0.68812(2) 0.01965(5) Uani 1 1 d . . . . .
Pt2_1 Pt 0.94295(2) 0.66274(2) 0.65473(2) 0.01863(5) Uani 1 1 d . . . . .
Br1_1 Br 0.93758(9) 0.28479(4) 0.66504(3) 0.03564(16) Uani 1 1 d . . . . .
Br2_1 Br 0.76575(8) 0.75996(5) 0.59525(3) 0.03520(16) Uani 1 1 d . . . . .
P1_1 P 0.86903(17) 0.46197(11) 0.76319(7) 0.0232(3) Uani 1 1 d . . . . .
P2_1 P 0.75517(17) 0.65116(11) 0.71755(7) 0.0224(3) Uani 1 1 d . . . . .
P3_1 P 1.12429(19) 0.66039(12) 0.58975(6) 0.0245(3) Uani 1 1 d . . . . .
P4_1 P 1.17495(18) 0.45029(12) 0.61527(7) 0.0265(3) Uani 1 1 d . . . . .
C1_1 C 0.7058(8) 0.3855(5) 0.7639(3) 0.0394(18) Uani 1 1 d . . . . .
H1A_1 H 0.641807 0.399788 0.732686 0.059 Uiso 1 1 calc R U . . .
H1B_1 H 0.648866 0.395772 0.797379 0.059 Uiso 1 1 calc R U . . .
H1C_1 H 0.738424 0.319799 0.762111 0.059 Uiso 1 1 calc R U . . .
C2_1 C 0.9613(8) 0.4346(5) 0.8263(2) 0.0367(16) Uani 1 1 d . . . . .
H2A_1 H 1.052865 0.472455 0.829657 0.055 Uiso 1 1 calc R U . . .
H2B_1 H 0.987500 0.367700 0.827021 0.055 Uiso 1 1 calc R U . . .
H2C_1 H 0.893573 0.448884 0.856491 0.055 Uiso 1 1 calc R U . . .
C3_1 C 0.7941(7) 0.5796(4) 0.7776(2) 0.0236(12) Uani 1 1 d . . . . .
H3A_1 H 0.699881 0.572630 0.798604 0.028 Uiso 1 1 calc R U . . .
H3AB_1 H 0.866945 0.613566 0.800736 0.028 Uiso 1 1 calc R U . . .
C4_1 C 0.6843(8) 0.7605(5) 0.7450(3) 0.0345(16) Uani 1 1 d . . . . .
H4A_1 H 0.647952 0.800445 0.715378 0.052 Uiso 1 1 calc R U . . .
H4B_1 H 0.765008 0.793096 0.764378 0.052 Uiso 1 1 calc R U . . .
H4C_1 H 0.601451 0.747329 0.769983 0.052 Uiso 1 1 calc R U . . .
C5_1 C 0.5881(7) 0.5983(5) 0.6890(3) 0.0376(16) Uani 1 1 d . . . . .
H5A_1 H 0.551489 0.637203 0.659012 0.056 Uiso 1 1 calc R U . . .
H5B_1 H 0.510286 0.593746 0.716900 0.056 Uiso 1 1 calc R U . . .
H5C_1 H 0.612202 0.535206 0.675503 0.056 Uiso 1 1 calc R U . . .
C6_1 C 1.2498(9) 0.7600(5) 0.5857(4) 0.045(2) Uani 1 1 d . . . . .
H6A_1 H 1.323609 0.749378 0.556925 0.067 Uiso 1 1 calc R U . . .
H6B_1 H 1.301947 0.767821 0.620355 0.067 Uiso 1 1 calc R U . . .
H6C_1 H 1.191790 0.816937 0.577659 0.067 Uiso 1 1 calc R U . . .
C7_1 C 1.0535(9) 0.6504(5) 0.5210(2) 0.0404(17) Uani 1 1 d . . . . .
H7A_1 H 1.138110 0.644080 0.495865 0.061 Uiso 1 1 calc R U . . .
H7B_1 H 0.995607 0.706843 0.511882 0.061 Uiso 1 1 calc R U . . .
H7C_1 H 0.988691 0.594909 0.518195 0.061 Uiso 1 1 calc R U . . .
C8_1 C 1.2558(7) 0.5632(4) 0.5957(3) 0.0274(13) Uani 1 1 d . . . . .
H8A_1 H 1.333289 0.580452 0.622666 0.033 Uiso 1 1 calc R U . . .
H8AB_1 H 1.307197 0.555166 0.560430 0.033 Uiso 1 1 calc R U . . .
C9_1 C 1.0971(10) 0.4051(5) 0.5523(3) 0.048(2) Uani 1 1 d . . . . .
H9A_1 H 1.015470 0.446283 0.540166 0.072 Uiso 1 1 calc R U . . .
H9B_1 H 1.057947 0.341528 0.558255 0.072 Uiso 1 1 calc R U . . .
H9C_1 H 1.175940 0.403218 0.524649 0.072 Uiso 1 1 calc R U . . .
C10_1 C 1.3396(9) 0.3780(6) 0.6251(4) 0.052(2) Uani 1 1 d . . . . .
H10A_1 H 1.402020 0.379831 0.592491 0.078 Uiso 1 1 calc R U . . .
H10B_1 H 1.308617 0.312980 0.632292 0.078 Uiso 1 1 calc R U . . .
H10C_1 H 1.397313 0.401801 0.656006 0.078 Uiso 1 1 calc R U . . .
C11_1 C 1.0830(6) 0.5885(4) 0.7049(2) 0.0209(12) Uani 1 1 d . . . . .
H11A_1 H 1.066115 0.604765 0.743435 0.025 Uiso 1 1 calc R U . . .
H11B_1 H 1.190013 0.598923 0.695717 0.025 Uiso 1 1 calc R U . . .
C1_2 C 0.0072(5) 0.5269(2) 0.3882(2) 0.0410(14) Uani 1 1 d G U . . .
H1_2 H -0.011635 0.592034 0.393316 0.049 Uiso 1 1 calc R U . . .
C2_2 C -0.0765(5) 0.4605(3) 0.41641(17) 0.0397(13) Uani 1 1 d G U . . .
H2_2 H -0.152556 0.480320 0.440869 0.048 Uiso 1 1 calc R U . . .
C3_2 C -0.0489(5) 0.3652(3) 0.40886(18) 0.0382(13) Uani 1 1 d G U . . .
H3_2 H -0.106146 0.319841 0.428164 0.046 Uiso 1 1 calc R U . . .
C4_2 C 0.0623(5) 0.3362(2) 0.3731(2) 0.0370(13) Uani 1 1 d G U . . .
H4_2 H 0.081185 0.271075 0.367905 0.044 Uiso 1 1 calc R U . . .
C5_2 C 0.1461(4) 0.4026(3) 0.34482(19) 0.0423(14) Uani 1 1 d G U . . .
H5_2 H 0.222108 0.382788 0.320352 0.051 Uiso 1 1 calc R U . . .
C6_2 C 0.1185(5) 0.4979(3) 0.3524(2) 0.0436(15) Uani 1 1 d G U . . .
H6_2 H 0.175700 0.543268 0.333056 0.052 Uiso 1 1 calc R U . . .
C1_3 C 0.612(2) 0.5504(6) 0.5222(7) 0.0447(18) Uani 0.45(2) 1 d G U P A 1
H1_3 H 0.626811 0.613884 0.532955 0.054 Uiso 0.45(2) 1 calc R U P A 1
C2_3 C 0.6871(17) 0.4785(12) 0.5492(5) 0.0459(18) Uani 0.45(2) 1 d G U P A 1
H2_3 H 0.752734 0.492828 0.578345 0.055 Uiso 0.45(2) 1 calc R U P A 1
C3_3 C 0.666(2) 0.3856(9) 0.5334(8) 0.0466(19) Uani 0.45(2) 1 d G U P A 1
H3_3 H 0.716955 0.336411 0.551864 0.056 Uiso 0.45(2) 1 calc R U P A 1
C4_3 C 0.570(2) 0.3646(9) 0.4907(8) 0.0471(19) Uani 0.45(2) 1 d G U P A 1
H4_3 H 0.555255 0.301048 0.479991 0.057 Uiso 0.45(2) 1 calc R U P A 1
C5_3 C 0.4950(17) 0.4365(16) 0.4638(5) 0.0461(18) Uani 0.45(2) 1 d G U P A 1
H5_3 H 0.429331 0.422103 0.434600 0.055 Uiso 0.45(2) 1 calc R U P A 1
C6_3 C 0.5162(17) 0.5294(13) 0.4795(6) 0.0443(18) Uani 0.45(2) 1 d G U P A 1
H6_3 H 0.465107 0.578521 0.461081 0.053 Uiso 0.45(2) 1 calc R U P A 1
C1_33 C 0.6785(15) 0.5001(9) 0.5479(5) 0.0453(18) Uani 0.55(2) 1 d G U P A 2
H1_33 H 0.732631 0.534596 0.574419 0.054 Uiso 0.55(2) 1 calc R U P A 2
C2_33 C 0.5868(17) 0.5469(6) 0.5112(6) 0.0446(17) Uani 0.55(2) 1 d G U P A 2
H2_33 H 0.578298 0.613491 0.512614 0.053 Uiso 0.55(2) 1 calc R U P A 2
C3_33 C 0.5076(13) 0.4964(13) 0.4724(4) 0.0468(18) Uani 0.55(2) 1 d G U P A 2
H3_33 H 0.444937 0.528452 0.447274 0.056 Uiso 0.55(2) 1 calc R U P A 2
C4_33 C 0.5201(15) 0.3990(13) 0.4703(5) 0.0470(18) Uani 0.55(2) 1 d G U P A 2
H4_33 H 0.465908 0.364518 0.443739 0.056 Uiso 0.55(2) 1 calc R U P A 2
C5_33 C 0.6117(19) 0.3522(5) 0.5070(7) 0.0454(18) Uani 0.55(2) 1 d G U P A 2
H5_33 H 0.620239 0.285621 0.505545 0.054 Uiso 0.55(2) 1 calc R U P A 2
C6_33 C 0.6909(15) 0.4027(9) 0.5458(5) 0.0456(18) Uani 0.55(2) 1 d G U P A 2
H6_33 H 0.753602 0.370658 0.570885 0.055 Uiso 0.55(2) 1 calc R U P A 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_1 C11_1 2.055(6) . ?
Pt1_1 P1_1 2.2768(16) . ?
Pt1_1 P4_1 2.2848(17) . ?
Pt1_1 Br1_1 2.5606(7) . ?
Pt1_1 Pt2_1 3.1604(4) . ?
Pt2_1 C11_1 2.051(6) . ?
Pt2_1 P3_1 2.2764(17) . ?
Pt2_1 P2_1 2.2864(17) . ?
Pt2_1 Br2_1 2.5606(7) . ?
P1_1 C2_1 1.804(6) . ?
P1_1 C1_1 1.814(7) . ?
P1_1 C3_1 1.835(6) . ?
P2_1 C5_1 1.809(7) . ?
P2_1 C4_1 1.810(7) . ?
P2_1 C3_1 1.833(6) . ?
P3_1 C6_1 1.807(7) . ?
P3_1 C7_1 1.817(7) . ?
P3_1 C8_1 1.817(6) . ?
P4_1 C10_1 1.806(8) . ?
P4_1 C9_1 1.819(7) . ?
P4_1 C8_1 1.824(6) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3AB_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9900 . ?
C8_1 H8AB_1 0.9900 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C11_1 H11A_1 0.9900 . ?
C11_1 H11B_1 0.9900 . ?
C1_2 C2_2 1.3900 . ?
C1_2 C6_2 1.3900 . ?
C1_2 H1_2 0.9500 . ?
C2_2 C3_2 1.3900 . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.3900 . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.3900 . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.3900 . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C1_3 C2_3 1.3900 . ?
C1_3 C6_3 1.3900 . ?
C1_3 H1_3 0.9500 . ?
C2_3 C3_3 1.3900 . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.3900 . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.3900 . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.3900 . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
C1_33 C2_33 1.3900 . ?
C1_33 C6_33 1.3900 . ?
C1_33 H1_33 0.9500 . ?
C2_33 C3_33 1.3900 . ?
C2_33 H2_33 0.9500 . ?
C3_33 C4_33 1.3900 . ?
C3_33 H3_33 0.9500 . ?
C4_33 C5_33 1.3900 . ?
C4_33 H4_33 0.9500 . ?
C5_33 C6_33 1.3900 . ?
C5_33 H5_33 0.9500 . ?
C6_33 H6_33 0.9500 . ?

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
C11_1 Pt1_1 P1_1 87.12(17) . . ?
C11_1 Pt1_1 P4_1 89.98(17) . . ?
P1_1 Pt1_1 P4_1 176.59(6) . . ?
C11_1 Pt1_1 Br1_1 178.66(17) . . ?
P1_1 Pt1_1 Br1_1 94.21(4) . . ?
P4_1 Pt1_1 Br1_1 88.70(5) . . ?
C11_1 Pt1_1 Pt2_1 39.61(16) . . ?
P1_1 Pt1_1 Pt2_1 92.34(4) . . ?
P4_1 Pt1_1 Pt2_1 86.54(4) . . ?
Br1_1 Pt1_1 Pt2_1 140.02(2) . . ?
C11_1 Pt2_1 P3_1 89.32(17) . . ?
C11_1 Pt2_1 P2_1 89.81(17) . . ?
P3_1 Pt2_1 P2_1 174.65(6) . . ?
C11_1 Pt2_1 Br2_1 177.66(16) . . ?
P3_1 Pt2_1 Br2_1 92.28(5) . . ?
P2_1 Pt2_1 Br2_1 88.75(4) . . ?
C11_1 Pt2_1 Pt1_1 39.72(16) . . ?
P3_1 Pt2_1 Pt1_1 91.30(4) . . ?
P2_1 Pt2_1 Pt1_1 84.66(4) . . ?
Br2_1 Pt2_1 Pt1_1 141.879(19) . . ?
C2_1 P1_1 C1_1 103.1(4) . . ?
C2_1 P1_1 C3_1 101.2(3) . . ?
C1_1 P1_1 C3_1 104.6(3) . . ?
C2_1 P1_1 Pt1_1 115.4(2) . . ?
C1_1 P1_1 Pt1_1 116.0(3) . . ?
C3_1 P1_1 Pt1_1 114.7(2) . . ?
C5_1 P2_1 C4_1 102.5(4) . . ?
C5_1 P2_1 C3_1 103.9(3) . . ?
C4_1 P2_1 C3_1 103.9(3) . . ?
C5_1 P2_1 Pt2_1 111.4(3) . . ?
C4_1 P2_1 Pt2_1 116.5(2) . . ?
C3_1 P2_1 Pt2_1 116.9(2) . . ?
C6_1 P3_1 C7_1 102.9(4) . . ?
C6_1 P3_1 C8_1 101.7(3) . . ?
C7_1 P3_1 C8_1 103.8(3) . . ?
C6_1 P3_1 Pt2_1 117.7(3) . . ?
C7_1 P3_1 Pt2_1 114.5(3) . . ?
C8_1 P3_1 Pt2_1 114.3(2) . . ?
C10_1 P4_1 C9_1 102.9(4) . . ?
C10_1 P4_1 C8_1 102.5(3) . . ?
C9_1 P4_1 C8_1 103.5(3) . . ?
C10_1 P4_1 Pt1_1 113.8(3) . . ?
C9_1 P4_1 Pt1_1 116.4(3) . . ?
C8_1 P4_1 Pt1_1 115.8(2) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P2_1 C3_1 P1_1 114.6(3) . . ?
P2_1 C3_1 H3A_1 108.6 . . ?
P1_1 C3_1 H3A_1 108.6 . . ?
P2_1 C3_1 H3AB_1 108.6 . . ?
P1_1 C3_1 H3AB_1 108.6 . . ?
H3A_1 C3_1 H3AB_1 107.6 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
P3_1 C6_1 H6A_1 109.5 . . ?
P3_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
P3_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P3_1 C7_1 H7A_1 109.5 . . ?
P3_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P3_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P3_1 C8_1 P4_1 115.9(3) . . ?
P3_1 C8_1 H8A_1 108.3 . . ?
P4_1 C8_1 H8A_1 108.3 . . ?
P3_1 C8_1 H8AB_1 108.3 . . ?
P4_1 C8_1 H8AB_1 108.3 . . ?
H8A_1 C8_1 H8AB_1 107.4 . . ?
P4_1 C9_1 H9A_1 109.5 . . ?
P4_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P4_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P4_1 C10_1 H10A_1 109.5 . . ?
P4_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
P4_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
Pt2_1 C11_1 Pt1_1 100.7(2) . . ?
Pt2_1 C11_1 H11A_1 111.6 . . ?
Pt1_1 C11_1 H11A_1 111.6 . . ?
Pt2_1 C11_1 H11B_1 111.6 . . ?
Pt1_1 C11_1 H11B_1 111.6 . . ?
H11A_1 C11_1 H11B_1 109.4 . . ?
C2_2 C1_2 C6_2 120.0 . . ?
C2_2 C1_2 H1_2 120.0 . . ?
C6_2 C1_2 H1_2 120.0 . . ?
C1_2 C2_2 C3_2 120.0 . . ?
C1_2 C2_2 H2_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
C4_2 C3_2 C2_2 120.0 . . ?
C4_2 C3_2 H3_2 120.0 . . ?
C2_2 C3_2 H3_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C6_2 C5_2 C4_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 C1_2 120.0 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
C1_2 C6_2 H6_2 120.0 . . ?
C2_3 C1_3 C6_3 120.0 . . ?
C2_3 C1_3 H1_3 120.0 . . ?
C6_3 C1_3 H1_3 120.0 . . ?
C1_3 C2_3 C3_3 120.0 . . ?
C1_3 C2_3 H2_3 120.0 . . ?
C3_3 C2_3 H2_3 120.0 . . ?
C4_3 C3_3 C2_3 120.0 . . ?
C4_3 C3_3 H3_3 120.0 . . ?
C2_3 C3_3 H3_3 120.0 . . ?
C3_3 C4_3 C5_3 120.0 . . ?
C3_3 C4_3 H4_3 120.0 . . ?
C5_3 C4_3 H4_3 120.0 . . ?
C4_3 C5_3 C6_3 120.0 . . ?
C4_3 C5_3 H5_3 120.0 . . ?
C6_3 C5_3 H5_3 120.0 . . ?
C5_3 C6_3 C1_3 120.0 . . ?
C5_3 C6_3 H6_3 120.0 . . ?
C1_3 C6_3 H6_3 120.0 . . ?
C2_33 C1_33 C6_33 120.0 . . ?
C2_33 C1_33 H1_33 120.0 . . ?
C6_33 C1_33 H1_33 120.0 . . ?
C3_33 C2_33 C1_33 120.0 . . ?
C3_33 C2_33 H2_33 120.0 . . ?
C1_33 C2_33 H2_33 120.0 . . ?
C2_33 C3_33 C4_33 120.0 . . ?
C2_33 C3_33 H3_33 120.0 . . ?
C4_33 C3_33 H3_33 120.0 . . ?
C5_33 C4_33 C3_33 120.0 . . ?
C5_33 C4_33 H4_33 120.0 . . ?
C3_33 C4_33 H4_33 120.0 . . ?
C4_33 C5_33 C6_33 120.0 . . ?
C4_33 C5_33 H5_33 120.0 . . ?
C6_33 C5_33 H5_33 120.0 . . ?
C5_33 C6_33 C1_33 120.0 . . ?
C5_33 C6_33 H6_33 120.0 . . ?
C1_33 C6_33 H6_33 120.0 . . ?

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
C5_1 P2_1 C3_1 P1_1 73.1(4) . . . . ?
C4_1 P2_1 C3_1 P1_1 -179.9(4) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -50.1(4) . . . . ?
C2_1 P1_1 C3_1 P2_1 157.6(4) . . . . ?
C1_1 P1_1 C3_1 P2_1 -95.5(4) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 32.7(4) . . . . ?
C6_1 P3_1 C8_1 P4_1 167.4(4) . . . . ?
C7_1 P3_1 C8_1 P4_1 -85.9(4) . . . . ?
Pt2_1 P3_1 C8_1 P4_1 39.5(4) . . . . ?
C10_1 P4_1 C8_1 P3_1 -173.0(4) . . . . ?
C9_1 P4_1 C8_1 P3_1 80.3(5) . . . . ?
Pt1_1 P4_1 C8_1 P3_1 -48.4(4) . . . . ?
C6_2 C1_2 C2_2 C3_2 0.0 . . . . ?
C1_2 C2_2 C3_2 C4_2 0.0 . . . . ?
C2_2 C3_2 C4_2 C5_2 0.0 . . . . ?
C3_2 C4_2 C5_2 C6_2 0.0 . . . . ?
C4_2 C5_2 C6_2 C1_2 0.0 . . . . ?
C2_2 C1_2 C6_2 C5_2 0.0 . . . . ?
C6_3 C1_3 C2_3 C3_3 0.0 . . . . ?
C1_3 C2_3 C3_3 C4_3 0.0 . . . . ?
C2_3 C3_3 C4_3 C5_3 0.0 . . . . ?
C3_3 C4_3 C5_3 C6_3 0.0 . . . . ?
C4_3 C5_3 C6_3 C1_3 0.0 . . . . ?
C2_3 C1_3 C6_3 C5_3 0.0 . . . . ?
C6_33 C1_33 C2_33 C3_33 0.0 . . . . ?
C1_33 C2_33 C3_33 C4_33 0.0 . . . . ?
C2_33 C3_33 C4_33 C5_33 0.0 . . . . ?
C3_33 C4_33 C5_33 C6_33 0.0 . . . . ?
C4_33 C5_33 C6_33 C1_33 0.0 . . . . ?
C2_33 C1_33 C6_33 C5_33 0.0 . . . . ?

_refine_diff_density_max         1.302
_refine_diff_density_min         -1.019
_refine_diff_density_rms         0.143


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/Pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_xabs2
_database_code_depnum_ccdc_archive 'CCDC 2505905'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.6i (K.Radacki, 2005-25)'
_audit_creation_date             2025-10-31
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         'C10 H29 Cl5 P4 Pt2 Si'
_chemical_formula_sum            'C10 H29 Cl5 P4 Pt2 Si'
_chemical_formula_weight         868.74
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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   16.867(4)
_cell_length_b                   9.601(3)
_cell_length_c                   16.707(4)
_cell_angle_alpha                90
_cell_angle_beta                 116.809(8)
_cell_angle_gamma                90
_cell_volume                     2414.9(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9929
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      31.02

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.389
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.264
_exptl_crystal_size_mid          0.103
_exptl_crystal_size_min          0.072
_exptl_absorpt_coefficient_mu    12.435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .4817
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 1.17 was 
 applied.
;
_exptl_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in 
 dichloromethane pentane. For data collection the crystal was immersed in a 
 film of perfluoropolyether oil, mounted on a polyimide loop and transferred 
 to stream of cold nitrogen (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -1.00 0.00 0.0140
0.00 1.00 0.00 0.0490
-1.00 -1.00 1.00 0.1110
-1.00 0.00 1.00 0.1180
1.00 1.00 -1.00 0.1040
1.00 0.00 -1.00 0.1020
1.00 -1.00 -1.00 0.0800
1.00 -1.00 0.00 0.0150
-1.00 1.00 0.00 0.0360
-1.00 -1.00 -1.00 0.1150
-1.00 0.00 -1.00 0.1130
-1.00 1.00 -1.00 0.1050
1.00 0.00 1.00 0.1240
1.00 -1.00 1.00 0.0980
-1.00 -1.00 0.00 0.0430
1.00 1.00 0.00 0.0510
0.00 0.00 1.00 0.1320
0.00 0.00 -1.00 0.1200

_shelx_estimated_absorpt_T_min   0.138
_shelx_estimated_absorpt_T_max   0.468
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0.0019137
_diffrn_orient_matrix_UB_12      -0.1020236
_diffrn_orient_matrix_UB_13      0.0126646
_diffrn_orient_matrix_UB_21      -0.0002615
_diffrn_orient_matrix_UB_22      0.0207444
_diffrn_orient_matrix_UB_23      0.0579805
_diffrn_orient_matrix_UB_31      -0.0670343
_diffrn_orient_matrix_UB_32      -0.0029935
_diffrn_orient_matrix_UB_33      -0.0298358
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            4752
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_av_R_equivalents  0.0926
_diffrn_reflns_theta_min         2.441
_diffrn_reflns_theta_max         26.020
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_standards_number         0
_reflns_number_total             4752
_reflns_number_gt                4183
_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    'SHELXS 2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_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)+78.7684P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4752
_refine_ls_number_parameters     210
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.0944
_refine_ls_wR_factor_gt          0.0913
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.135
_refine_diff_density_min         -2.311
_refine_diff_density_rms         0.272
_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_
_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_1 Pt 0.34563(3) 0.49824(4) 0.85133(3) 0.01259(10) Uani 1 1 d . . . . .
Pt2_1 Pt 0.19977(3) 0.41090(4) 0.65729(3) 0.01294(11) Uani 1 1 d . . . . .
H1_1 H 0.263(7) 0.354(12) 0.802(8) 0.019 Uiso 1 1 d . U . . .
Cl1_1 Cl 0.44004(18) 0.6771(3) 0.8380(2) 0.0234(6) Uani 1 1 d . . . . .
Cl2_1 Cl 0.21492(19) 0.6284(3) 0.59502(19) 0.0230(6) Uani 1 1 d . . . . .
Cl3_1 Cl 0.16872(19) 0.1502(3) 0.80652(18) 0.0227(6) Uani 1 1 d . . . . .
Cl4_1 Cl 0.2007(2) 0.0167(3) 0.6485(2) 0.0280(6) Uani 1 1 d . . . . .
Cl5_1 Cl 0.01725(18) 0.1715(3) 0.59794(19) 0.0269(6) Uani 1 1 d . . . . .
Si1_1 Si 0.1530(2) 0.2002(3) 0.6779(2) 0.0182(6) Uani 1 1 d . . . . .
P1_1 P 0.43398(18) 0.3178(3) 0.85219(18) 0.0143(5) Uani 1 1 d . . . . .
P2_1 P 0.32217(18) 0.3269(3) 0.64609(18) 0.0136(5) Uani 1 1 d . . . . .
P3_1 P 0.09501(19) 0.5288(3) 0.68672(19) 0.0174(6) Uani 1 1 d . . . . .
P4_1 P 0.24891(18) 0.6564(3) 0.85955(18) 0.0140(5) Uani 1 1 d . . . . .
C1_1 C 0.5485(7) 0.3634(12) 0.8804(8) 0.022(2) Uani 1 1 d . . . . .
H1A_1 H 0.579741 0.280712 0.874682 0.033 Uiso 1 1 calc R U . . .
H1B_1 H 0.578350 0.397923 0.942140 0.033 Uiso 1 1 calc R U . . .
H1C_1 H 0.549111 0.435932 0.839363 0.033 Uiso 1 1 calc R U . . .
C2_1 C 0.4441(8) 0.1772(12) 0.9277(7) 0.021(2) Uani 1 1 d . . . . .
H2A_1 H 0.384949 0.141760 0.914147 0.031 Uiso 1 1 calc R U . . .
H2B_1 H 0.473272 0.211317 0.989627 0.031 Uiso 1 1 calc R U . . .
H2C_1 H 0.479740 0.102225 0.920385 0.031 Uiso 1 1 calc R U . . .
C3_1 C 0.3948(7) 0.2244(11) 0.7436(7) 0.017(2) Uani 1 1 d . . . . .
H3A_1 H 0.447141 0.194565 0.735931 0.020 Uiso 1 1 calc R U . . .
H3AB_1 H 0.362609 0.139414 0.745816 0.020 Uiso 1 1 calc R U . . .
C4_1 C 0.3956(7) 0.4597(11) 0.6405(8) 0.021(2) Uani 1 1 d . . . . .
H4A_1 H 0.447415 0.415448 0.639367 0.032 Uiso 1 1 calc R U . . .
H4B_1 H 0.415051 0.520392 0.693096 0.032 Uiso 1 1 calc R U . . .
H4C_1 H 0.363952 0.515102 0.585890 0.032 Uiso 1 1 calc R U . . .
C5_1 C 0.3051(8) 0.2212(11) 0.5501(7) 0.020(2) Uani 1 1 d . . . . .
H5A_1 H 0.270471 0.273833 0.494935 0.030 Uiso 1 1 calc R U . . .
H5B_1 H 0.272784 0.136307 0.550069 0.030 Uiso 1 1 calc R U . . .
H5C_1 H 0.362730 0.196036 0.553233 0.030 Uiso 1 1 calc R U . . .
C6_1 C 0.0427(8) 0.4473(13) 0.7494(8) 0.026(3) Uani 1 1 d . . . . .
H6A_1 H 0.013291 0.518720 0.768395 0.039 Uiso 1 1 calc R U . . .
H6B_1 H 0.088080 0.400268 0.802272 0.039 Uiso 1 1 calc R U . . .
H6C_1 H -0.001262 0.379083 0.711133 0.039 Uiso 1 1 calc R U . . .
C7_1 C 0.0014(8) 0.6007(14) 0.5893(8) 0.028(3) Uani 1 1 d . . . . .
H7A_1 H 0.023211 0.651744 0.552361 0.042 Uiso 1 1 calc R U . . .
H7B_1 H -0.031767 0.664302 0.608990 0.042 Uiso 1 1 calc R U . . .
H7C_1 H -0.037602 0.524946 0.554044 0.042 Uiso 1 1 calc R U . . .
C8_1 C 0.1483(7) 0.6841(11) 0.7519(7) 0.019(2) Uani 1 1 d . . . . .
H8A_1 H 0.104013 0.734366 0.764745 0.023 Uiso 1 1 calc R U . . .
H8AB_1 H 0.164399 0.745860 0.714099 0.023 Uiso 1 1 calc R U . . .
C9_1 C 0.2076(7) 0.6178(12) 0.9405(7) 0.021(2) Uani 1 1 d . . . . .
H9A_1 H 0.163666 0.688127 0.936069 0.031 Uiso 1 1 calc R U . . .
H9B_1 H 0.257049 0.618839 1.001157 0.031 Uiso 1 1 calc R U . . .
H9C_1 H 0.179680 0.525534 0.927983 0.031 Uiso 1 1 calc R U . . .
C10_1 C 0.2900(8) 0.8330(12) 0.8889(8) 0.025(3) Uani 1 1 d . . . . .
H10A_1 H 0.310360 0.867308 0.846090 0.037 Uiso 1 1 calc R U . . .
H10B_1 H 0.339538 0.834170 0.949494 0.037 Uiso 1 1 calc R U . . .
H10C_1 H 0.242164 0.893109 0.887005 0.037 Uiso 1 1 calc R U . . .


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_1 P4_1 2.278(3) . ?
Pt1_1 P1_1 2.281(3) . ?
Pt1_1 Cl1_1 2.420(3) . ?
Pt1_1 Pt2_1 3.1734(9) . ?
Pt1_1 H1_1 1.87(11) . ?
Pt2_1 Si1_1 2.253(3) . ?
Pt2_1 P2_1 2.301(3) . ?
Pt2_1 P3_1 2.330(3) . ?
Pt2_1 Cl2_1 2.397(3) . ?
Cl3_1 Si1_1 2.099(4) . ?
Cl4_1 Si1_1 2.086(4) . ?
Cl5_1 Si1_1 2.084(4) . ?
P1_1 C2_1 1.802(11) . ?
P1_1 C1_1 1.824(11) . ?
P1_1 C3_1 1.858(11) . ?
P2_1 C5_1 1.808(11) . ?
P2_1 C4_1 1.808(10) . ?
P2_1 C3_1 1.823(11) . ?
P3_1 C7_1 1.816(11) . ?
P3_1 C6_1 1.821(12) . ?
P3_1 C8_1 1.826(11) . ?
P4_1 C10_1 1.814(12) . ?
P4_1 C9_1 1.818(11) . ?
P4_1 C8_1 1.852(11) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3AB_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9900 . ?
C8_1 H8AB_1 0.9900 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 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
P4_1 Pt1_1 P1_1 171.72(10) . . ?
P4_1 Pt1_1 Cl1_1 92.96(10) . . ?
P1_1 Pt1_1 Cl1_1 94.84(10) . . ?
P4_1 Pt1_1 Pt2_1 89.51(7) . . ?
P1_1 Pt1_1 Pt2_1 90.52(7) . . ?
Cl1_1 Pt1_1 Pt2_1 109.42(7) . . ?
P4_1 Pt1_1 H1_1 96(3) . . ?
P1_1 Pt1_1 H1_1 78(3) . . ?
Cl1_1 Pt1_1 H1_1 151(3) . . ?
Pt2_1 Pt1_1 H1_1 44(3) . . ?
Si1_1 Pt2_1 P2_1 94.96(10) . . ?
Si1_1 Pt2_1 P3_1 93.04(11) . . ?
P2_1 Pt2_1 P3_1 168.78(10) . . ?
Si1_1 Pt2_1 Cl2_1 164.01(11) . . ?
P2_1 Pt2_1 Cl2_1 89.70(9) . . ?
P3_1 Pt2_1 Cl2_1 84.70(10) . . ?
Si1_1 Pt2_1 Pt1_1 104.17(8) . . ?
P2_1 Pt2_1 Pt1_1 82.25(7) . . ?
P3_1 Pt2_1 Pt1_1 88.19(7) . . ?
Cl2_1 Pt2_1 Pt1_1 91.60(7) . . ?
Cl5_1 Si1_1 Cl4_1 99.57(18) . . ?
Cl5_1 Si1_1 Cl3_1 102.75(17) . . ?
Cl4_1 Si1_1 Cl3_1 99.42(17) . . ?
Cl5_1 Si1_1 Pt2_1 112.34(16) . . ?
Cl4_1 Si1_1 Pt2_1 121.59(16) . . ?
Cl3_1 Si1_1 Pt2_1 118.06(16) . . ?
C2_1 P1_1 C1_1 104.1(5) . . ?
C2_1 P1_1 C3_1 101.7(5) . . ?
C1_1 P1_1 C3_1 103.7(5) . . ?
C2_1 P1_1 Pt1_1 115.4(4) . . ?
C1_1 P1_1 Pt1_1 115.6(4) . . ?
C3_1 P1_1 Pt1_1 114.6(3) . . ?
C5_1 P2_1 C4_1 100.9(5) . . ?
C5_1 P2_1 C3_1 105.3(5) . . ?
C4_1 P2_1 C3_1 103.1(5) . . ?
C5_1 P2_1 Pt2_1 118.6(4) . . ?
C4_1 P2_1 Pt2_1 114.7(4) . . ?
C3_1 P2_1 Pt2_1 112.5(4) . . ?
C7_1 P3_1 C6_1 103.2(6) . . ?
C7_1 P3_1 C8_1 102.7(6) . . ?
C6_1 P3_1 C8_1 104.1(5) . . ?
C7_1 P3_1 Pt2_1 115.5(4) . . ?
C6_1 P3_1 Pt2_1 121.5(4) . . ?
C8_1 P3_1 Pt2_1 107.9(4) . . ?
C10_1 P4_1 C9_1 102.5(5) . . ?
C10_1 P4_1 C8_1 101.5(5) . . ?
C9_1 P4_1 C8_1 105.1(5) . . ?
C10_1 P4_1 Pt1_1 116.3(4) . . ?
C9_1 P4_1 Pt1_1 115.8(4) . . ?
C8_1 P4_1 Pt1_1 113.9(4) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P2_1 C3_1 P1_1 114.3(5) . . ?
P2_1 C3_1 H3A_1 108.7 . . ?
P1_1 C3_1 H3A_1 108.7 . . ?
P2_1 C3_1 H3AB_1 108.7 . . ?
P1_1 C3_1 H3AB_1 108.7 . . ?
H3A_1 C3_1 H3AB_1 107.6 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
P3_1 C6_1 H6A_1 109.5 . . ?
P3_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
P3_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P3_1 C7_1 H7A_1 109.5 . . ?
P3_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P3_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P3_1 C8_1 P4_1 116.8(6) . . ?
P3_1 C8_1 H8A_1 108.1 . . ?
P4_1 C8_1 H8A_1 108.1 . . ?
P3_1 C8_1 H8AB_1 108.1 . . ?
P4_1 C8_1 H8AB_1 108.1 . . ?
H8A_1 C8_1 H8AB_1 107.3 . . ?
P4_1 C9_1 H9A_1 109.5 . . ?
P4_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P4_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P4_1 C10_1 H10A_1 109.5 . . ?
P4_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
P4_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?

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
C5_1 P2_1 C3_1 P1_1 173.3(6) . . . . ?
C4_1 P2_1 C3_1 P1_1 67.9(7) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -56.2(6) . . . . ?
C2_1 P1_1 C3_1 P2_1 148.4(6) . . . . ?
C1_1 P1_1 C3_1 P2_1 -103.7(7) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 23.2(7) . . . . ?
C7_1 P3_1 C8_1 P4_1 179.8(6) . . . . ?
C6_1 P3_1 C8_1 P4_1 72.5(8) . . . . ?
Pt2_1 P3_1 C8_1 P4_1 -57.7(7) . . . . ?
C10_1 P4_1 C8_1 P3_1 169.5(7) . . . . ?
C9_1 P4_1 C8_1 P3_1 -84.0(7) . . . . ?
Pt1_1 P4_1 C8_1 P3_1 43.7(7) . . . . ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene, pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_3runs_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2406550'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.6i (K.Radacki, 2005-25)'
_audit_creation_date             2025-10-30
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         
'C13 H34 I P4 Pt2 Si, C6 H6, [half a pentane squeezed]'
_chemical_formula_sum            'C21.5 H46 I P4 Pt2 Si'
_chemical_formula_weight         973.66
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'
Si Si 0.0817 0.0704 '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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'
_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'


_cell_length_a                   32.531(2)
_cell_length_b                   16.2293(15)
_cell_length_c                   12.3818(11)
_cell_angle_alpha                90
_cell_angle_beta                 94.934(3)
_cell_angle_gamma                90
_cell_volume                     6512.8(10)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9835
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      26.37

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_F_000             3496
_exptl_crystal_size_max          0.301
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.078
_exptl_absorpt_coefficient_mu    9.768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .1712
_exptl_absorpt_correction_T_max  0.2665
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.98 was 
 applied.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
_shelx_estimated_absorpt_T_min   0.157
_shelx_estimated_absorpt_T_max   0.516
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0.0004804
_diffrn_orient_matrix_UB_12      -0.0605946
_diffrn_orient_matrix_UB_13      0.0147050
_diffrn_orient_matrix_UB_21      0.0001087
_diffrn_orient_matrix_UB_22      -0.0111339
_diffrn_orient_matrix_UB_23      -0.0794094
_diffrn_orient_matrix_UB_31      0.0308506
_diffrn_orient_matrix_UB_32      0.0009829
_diffrn_orient_matrix_UB_33      0.0070238
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            45602
_diffrn_reflns_av_unetI/netI     0.0423
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.125
_diffrn_reflns_theta_max         26.381
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_standards_number         0
_reflns_number_total             6666
_reflns_number_gt                5287
_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. 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.
;

_computing_data_collection       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2018/2 (Sheldrick, 2018)'"
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_refine_special_details          
;
 Some reflections were removed from refinement as outliers. The unit cell contains two rotationally disordered
half benzene molecules, one positioned on an inversion center and the other on a C2 axis, 
which were modelled with PARTs -1 10.5 and idealized rings (AFIX 6). ADPs within these disorders were restrained
to similarity with SIMU 0.005 and approximated to isotropy with ISOR 0.01.
The unit cell  contains partially occupied and highly disordered pentane molecules
positioned around symmetry operators, which could not be modelled adequately
and have been treated as a diffuse contribution to the overall scattering 
without specific atom positions by the Platon program Squeeze. 194 electrons were
thus removed from the unit cell, corresponding to 4.6 pentane molecules, i.e. ca. 0.5
molecules of pentane per asymmetric unit.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0244P)²+77.9295P] 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         6666
_refine_ls_number_parameters     285
_refine_ls_number_restraints     144
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0362
_refine_ls_wR_factor_ref         0.0790
_refine_ls_wR_factor_gt          0.0734
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.002
_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_1 Pt 0.36768(2) 0.23364(2) 0.62399(2) 0.01922(8) Uani 1 1 d . . . . .
Pt2_1 Pt 0.37246(2) 0.40167(2) 0.62961(2) 0.01766(8) Uani 1 1 d . . . . .
I1_1 I 0.37257(2) 0.57051(3) 0.62881(4) 0.02698(12) Uani 1 1 d . . . . .
P1_1 P 0.36296(6) 0.25433(12) 0.44223(15) 0.0243(4) Uani 1 1 d . . . . .
P2_1 P 0.42340(5) 0.38423(12) 0.51929(15) 0.0220(4) Uani 1 1 d . . . . .
P3_1 P 0.37649(6) 0.24666(12) 0.80717(15) 0.0230(4) Uani 1 1 d . . . . .
P4_1 P 0.32071(6) 0.38397(12) 0.73856(16) 0.0239(4) Uani 1 1 d . . . . .
Si1_1 Si 0.34796(7) 0.09405(14) 0.63006(19) 0.0314(5) Uani 1 1 d . . . . .
C1_1 C 0.3612(3) 0.1765(5) 0.3357(7) 0.040(2) Uani 1 1 d . . . . .
H1A_1 H 0.365283 0.202892 0.266256 0.060 Uiso 1 1 calc R U . . .
H1B_1 H 0.334354 0.148818 0.330873 0.060 Uiso 1 1 calc R U . . .
H1C_1 H 0.383127 0.135865 0.352781 0.060 Uiso 1 1 calc R U . . .
C2_1 C 0.3190(2) 0.3185(5) 0.3959(6) 0.0312(19) Uani 1 1 d . . . . .
H2A_1 H 0.321274 0.334984 0.320529 0.047 Uiso 1 1 calc R U . . .
H2B_1 H 0.318579 0.367758 0.441617 0.047 Uiso 1 1 calc R U . . .
H2C_1 H 0.293397 0.287309 0.400691 0.047 Uiso 1 1 calc R U . . .
C3_1 C 0.4084(2) 0.3125(5) 0.4084(6) 0.0268(17) Uani 1 1 d . . . . .
H3A_1 H 0.401942 0.343499 0.340188 0.032 Uiso 1 1 calc R U . . .
H3B_1 H 0.431419 0.274272 0.397991 0.032 Uiso 1 1 calc R U . . .
C4_1 C 0.4702(2) 0.3393(6) 0.5822(7) 0.037(2) Uani 1 1 d . . . . .
H4A_1 H 0.489623 0.330034 0.527148 0.055 Uiso 1 1 calc R U . . .
H4B_1 H 0.463802 0.286705 0.615716 0.055 Uiso 1 1 calc R U . . .
H4C_1 H 0.482586 0.376879 0.637789 0.055 Uiso 1 1 calc R U . . .
C5_1 C 0.4425(3) 0.4722(5) 0.4469(7) 0.036(2) Uani 1 1 d . . . . .
H5A_1 H 0.463401 0.453558 0.399903 0.053 Uiso 1 1 calc R U . . .
H5B_1 H 0.454775 0.512415 0.499165 0.053 Uiso 1 1 calc R U . . .
H5C_1 H 0.419564 0.497909 0.402613 0.053 Uiso 1 1 calc R U . . .
C6_1 C 0.3789(3) 0.1640(6) 0.9078(7) 0.038(2) Uani 1 1 d . . . . .
H6A_1 H 0.355733 0.126163 0.891636 0.057 Uiso 1 1 calc R U . . .
H6B_1 H 0.377415 0.187630 0.980160 0.057 Uiso 1 1 calc R U . . .
H6C_1 H 0.404948 0.133866 0.905480 0.057 Uiso 1 1 calc R U . . .
C7_1 C 0.4229(2) 0.3042(5) 0.8538(6) 0.0293(18) Uani 1 1 d . . . . .
H7A_1 H 0.447262 0.275204 0.831852 0.044 Uiso 1 1 calc R U . . .
H7B_1 H 0.424733 0.308799 0.933009 0.044 Uiso 1 1 calc R U . . .
H7C_1 H 0.421601 0.359382 0.821657 0.044 Uiso 1 1 calc R U . . .
C8_1 C 0.3343(2) 0.3099(5) 0.8480(6) 0.0233(16) Uani 1 1 d . . . . .
H8A_1 H 0.342880 0.339456 0.916165 0.028 Uiso 1 1 calc R U . . .
H8B_1 H 0.310179 0.274942 0.860192 0.028 Uiso 1 1 calc R U . . .
C9_1 C 0.2739(2) 0.3403(6) 0.6690(7) 0.037(2) Uani 1 1 d . . . . .
H9A_1 H 0.262126 0.379545 0.614655 0.056 Uiso 1 1 calc R U . . .
H9B_1 H 0.253825 0.329263 0.721818 0.056 Uiso 1 1 calc R U . . .
H9C_1 H 0.280679 0.288826 0.633256 0.056 Uiso 1 1 calc R U . . .
C10_1 C 0.3014(3) 0.4700(5) 0.8117(7) 0.040(2) Uani 1 1 d . . . . .
H10A_1 H 0.291233 0.512716 0.760194 0.060 Uiso 1 1 calc R U . . .
H10B_1 H 0.323621 0.492517 0.861412 0.060 Uiso 1 1 calc R U . . .
H10C_1 H 0.278764 0.451323 0.853108 0.060 Uiso 1 1 calc R U . . .
C11_1 C 0.3862(3) 0.0192(6) 0.6939(9) 0.053(3) Uani 1 1 d . . . . .
H11A_1 H 0.375129 -0.036841 0.685703 0.079 Uiso 1 1 calc R U . . .
H11B_1 H 0.391724 0.032022 0.771130 0.079 Uiso 1 1 calc R U . . .
H11C_1 H 0.411959 0.022954 0.658406 0.079 Uiso 1 1 calc R U . . .
C12_1 C 0.3297(3) 0.0385(6) 0.5000(8) 0.052(3) Uani 1 1 d . . . . .
H12A_1 H 0.306586 0.068648 0.462732 0.077 Uiso 1 1 calc R U . . .
H12B_1 H 0.320792 -0.017354 0.517081 0.077 Uiso 1 1 calc R U . . .
H12C_1 H 0.352418 0.035332 0.452929 0.077 Uiso 1 1 calc R U . . .
C13_1 C 0.2999(3) 0.0853(6) 0.7063(8) 0.052(3) Uani 1 1 d . . . . .
H13A_1 H 0.275910 0.104611 0.659883 0.078 Uiso 1 1 calc R U . . .
H13B_1 H 0.303258 0.119203 0.771964 0.078 Uiso 1 1 calc R U . . .
H13C_1 H 0.295786 0.027690 0.726288 0.078 Uiso 1 1 calc R U . . .
C1_2 C 0.4797(6) 0.3108(6) 0.2055(18) 0.049(3) Uani 0.5 1 d G U P A -1
H1_2 H 0.465698 0.356601 0.171813 0.058 Uiso 0.5 1 calc R U P A -1
C2_2 C 0.4656(4) 0.2307(8) 0.1837(12) 0.051(3) Uani 0.5 1 d G U P A -1
H2_2 H 0.441558 0.221725 0.135951 0.061 Uiso 0.5 1 calc R U P A -1
C3_2 C 0.4870(5) 0.1638(6) 0.2324(15) 0.053(3) Uani 0.5 1 d G U P A -1
H3_2 H 0.476599 0.109512 0.220999 0.063 Uiso 0.5 1 calc R U P A -1
C4_2 C 0.5239(5) 0.1767(6) 0.2985(14) 0.051(3) Uani 0.5 1 d G U P A -1
H4_2 H 0.540682 0.131570 0.323718 0.061 Uiso 0.5 1 calc R U P A -1
C5_2 C 0.5351(4) 0.2575(8) 0.3258(12) 0.048(3) Uani 0.5 1 d G U P A -1
H5_2 H 0.557337 0.267576 0.379110 0.058 Uiso 0.5 1 calc R U P A -1
C6_2 C 0.5142(6) 0.3225(6) 0.2761(18) 0.048(3) Uani 0.5 1 d G U P A -1
H6_2 H 0.523730 0.376988 0.290940 0.057 Uiso 0.5 1 calc R U P A -1
C1_3 C 0.2746(5) 0.2850(10) 1.0794(17) 0.034(3) Uani 0.5 1 d G U P B -1
H1_3 H 0.294087 0.302796 1.136018 0.041 Uiso 0.5 1 calc R U P B -1
C2_3 C 0.2736(5) 0.2026(10) 1.0486(17) 0.034(3) Uani 0.5 1 d G U P B -1
H2_3 H 0.292166 0.164258 1.084582 0.041 Uiso 0.5 1 calc R U P B -1
C3_3 C 0.2455(6) 0.1767(9) 0.9651(17) 0.033(3) Uani 0.5 1 d G U P B -1
H3_3 H 0.244462 0.120461 0.943562 0.040 Uiso 0.5 1 calc R U P B -1
C4_3 C 0.2189(5) 0.2338(10) 0.9134(17) 0.032(3) Uani 0.5 1 d G U P B -1
H4_3 H 0.199797 0.216205 0.855637 0.039 Uiso 0.5 1 calc R U P B -1
C5_3 C 0.2195(5) 0.3159(10) 0.9440(17) 0.035(3) Uani 0.5 1 d G U P B -1
H5_3 H 0.201072 0.354122 0.907416 0.042 Uiso 0.5 1 calc R U P B -1
C6_3 C 0.2473(6) 0.3419(9) 1.0284(18) 0.036(3) Uani 0.5 1 d G U P B -1
H6_3 H 0.247669 0.397777 1.051218 0.043 Uiso 0.5 1 calc R U P B -1


_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_1 P1_1 2.2676(19) . ?
Pt1_1 P3_1 2.2714(19) . ?
Pt1_1 Si1_1 2.357(2) . ?
Pt1_1 Pt2_1 2.7320(5) . ?
Pt2_1 P2_1 2.2542(19) . ?
Pt2_1 P4_1 2.2641(19) . ?
Pt2_1 I1_1 2.7402(6) . ?
P1_1 C2_1 1.822(8) . ?
P1_1 C1_1 1.824(8) . ?
P1_1 C3_1 1.833(8) . ?
P2_1 C4_1 1.803(7) . ?
P2_1 C5_1 1.823(8) . ?
P2_1 C3_1 1.833(8) . ?
P3_1 C8_1 1.821(7) . ?
P3_1 C7_1 1.826(7) . ?
P3_1 C6_1 1.828(8) . ?
P4_1 C10_1 1.806(8) . ?
P4_1 C9_1 1.826(8) . ?
P4_1 C8_1 1.836(8) . ?
Si1_1 C11_1 1.867(10) . ?
Si1_1 C12_1 1.896(9) . ?
Si1_1 C13_1 1.899(9) . ?
C1_2 C6_2 1.3740 . ?
C1_2 C2_2 1.3973 . ?
C2_2 C3_2 1.3980 . ?
C3_2 C4_2 1.4090 . ?
C4_2 C5_2 1.3953 . ?
C5_2 C6_2 1.3725 . ?
C1_3 C2_3 1.3905 . ?
C1_3 C6_3 1.3938 . ?
C2_3 C3_3 1.3855 . ?
C3_3 C4_3 1.3873 . ?
C4_3 C5_3 1.3849 . ?
C5_3 C6_3 1.3868 . ?

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
P1_1 Pt1_1 P3_1 165.75(7) . . ?
P1_1 Pt1_1 Si1_1 100.29(8) . . ?
P3_1 Pt1_1 Si1_1 93.95(8) . . ?
P1_1 Pt1_1 Pt2_1 82.90(5) . . ?
P3_1 Pt1_1 Pt2_1 83.09(5) . . ?
Si1_1 Pt1_1 Pt2_1 166.77(6) . . ?
P2_1 Pt2_1 P4_1 165.48(7) . . ?
P2_1 Pt2_1 Pt1_1 84.40(5) . . ?
P4_1 Pt2_1 Pt1_1 81.08(5) . . ?
P2_1 Pt2_1 I1_1 97.01(5) . . ?
P4_1 Pt2_1 I1_1 97.49(5) . . ?
Pt1_1 Pt2_1 I1_1 176.534(15) . . ?
C2_1 P1_1 C1_1 101.2(4) . . ?
C2_1 P1_1 C3_1 105.1(4) . . ?
C1_1 P1_1 C3_1 99.6(4) . . ?
C2_1 P1_1 Pt1_1 112.4(3) . . ?
C1_1 P1_1 Pt1_1 127.6(3) . . ?
C3_1 P1_1 Pt1_1 108.4(2) . . ?
C4_1 P2_1 C5_1 102.6(4) . . ?
C4_1 P2_1 C3_1 103.1(4) . . ?
C5_1 P2_1 C3_1 102.0(4) . . ?
C4_1 P2_1 Pt2_1 115.2(3) . . ?
C5_1 P2_1 Pt2_1 119.9(3) . . ?
C3_1 P2_1 Pt2_1 111.8(3) . . ?
C8_1 P3_1 C7_1 104.3(4) . . ?
C8_1 P3_1 C6_1 102.4(4) . . ?
C7_1 P3_1 C6_1 100.0(4) . . ?
C8_1 P3_1 Pt1_1 107.2(2) . . ?
C7_1 P3_1 Pt1_1 113.2(3) . . ?
C6_1 P3_1 Pt1_1 127.3(3) . . ?
C10_1 P4_1 C9_1 102.9(4) . . ?
C10_1 P4_1 C8_1 102.0(4) . . ?
C9_1 P4_1 C8_1 103.4(4) . . ?
C10_1 P4_1 Pt2_1 120.6(3) . . ?
C9_1 P4_1 Pt2_1 113.6(3) . . ?
C8_1 P4_1 Pt2_1 112.3(2) . . ?
C11_1 Si1_1 C12_1 101.4(5) . . ?
C11_1 Si1_1 C13_1 106.8(5) . . ?
C12_1 Si1_1 C13_1 100.1(4) . . ?
C11_1 Si1_1 Pt1_1 117.8(3) . . ?
C12_1 Si1_1 Pt1_1 119.8(3) . . ?
C13_1 Si1_1 Pt1_1 109.0(3) . . ?
P1_1 C3_1 P2_1 108.9(4) . . ?
P3_1 C8_1 P4_1 107.7(4) . . ?
C6_2 C1_2 C2_2 119.2 . . ?
C1_2 C2_2 C3_2 119.7 . . ?
C2_2 C3_2 C4_2 120.2 . . ?
C5_2 C4_2 C3_2 118.2 . . ?
C6_2 C5_2 C4_2 120.3 . . ?
C5_2 C6_2 C1_2 121.7 . . ?
C2_3 C1_3 C6_3 121.0 . . ?
C3_3 C2_3 C1_3 119.6 . . ?
C2_3 C3_3 C4_3 119.2 . . ?
C5_3 C4_3 C3_3 121.6 . . ?
C4_3 C5_3 C6_3 119.4 . . ?
C5_3 C6_3 C1_3 119.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2_1 P1_1 C3_1 P2_1 86.2(4) . . . . ?
C1_1 P1_1 C3_1 P2_1 -169.3(4) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 -34.2(4) . . . . ?
C4_1 P2_1 C3_1 P1_1 108.2(5) . . . . ?
C5_1 P2_1 C3_1 P1_1 -145.7(4) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -16.2(5) . . . . ?
C7_1 P3_1 C8_1 P4_1 87.8(4) . . . . ?
C6_1 P3_1 C8_1 P4_1 -168.4(4) . . . . ?
Pt1_1 P3_1 C8_1 P4_1 -32.5(4) . . . . ?
C10_1 P4_1 C8_1 P3_1 -151.0(4) . . . . ?
C9_1 P4_1 C8_1 P3_1 102.4(4) . . . . ?
Pt2_1 P4_1 C8_1 P3_1 -20.5(4) . . . . ?
C6_2 C1_2 C2_2 C3_2 -1.1 . . . . ?
C1_2 C2_2 C3_2 C4_2 -3.5 . . . . ?
C2_2 C3_2 C4_2 C5_2 8.9 . . . . ?
C3_2 C4_2 C5_2 C6_2 -9.9 . . . . ?
C4_2 C5_2 C6_2 C1_2 5.5 . . . . ?
C2_2 C1_2 C6_2 C5_2 0.1 . . . . ?
C6_3 C1_3 C2_3 C3_3 0.8 . . . . ?
C1_3 C2_3 C3_3 C4_3 0.3 . . . . ?
C2_3 C3_3 C4_3 C5_3 -0.7 . . . . ?
C3_3 C4_3 C5_3 C6_3 -0.1 . . . . ?
C4_3 C5_3 C6_3 C1_3 1.3 . . . . ?
C2_3 C1_3 C6_3 C5_3 -1.6 . . . . ?

_refine_diff_density_max         1.574
_refine_diff_density_min         -1.159
_refine_diff_density_rms         0.178



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene/pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_MaPa082_MaPa_a
_database_code_depnum_ccdc_archive 'CCDC 2406558'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.6i (K.Radacki, 2005-25)'
_audit_creation_date             2025-10-28
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         'C11 H31 Cl3 P4 Pt2 Si, C6 H4 F2'
_chemical_formula_sum            'C17 H35 Cl3 F2 P4 Pt2 Si'
_chemical_formula_weight         925.95
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'
Si Si 0.0817 0.0704 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   10.199(3)
_cell_length_b                   9.446(2)
_cell_length_c                   29.217(8)
_cell_angle_alpha                90
_cell_angle_beta                 90.426(10)
_cell_angle_gamma                90
_cell_volume                     2814.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9893
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      32.33

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.128
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.047
_exptl_absorpt_coefficient_mu    10.503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .5401
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker AXS)'
_exptl_absorpt_special_details   
;
 Incident beam scaling, empirical absorption correction using spherical 
 harmonics, and outlier rejection was employed as implemented in SADABS. 
 Additional spherical absorption correction with mu*r value set to 0.2 was 
 applied.
;
_exptl_crystal_preparation       
;
 For data collection the crystal was immersed in a film of perfluoropolyether 
 oil, mounted on a polyimide loop and transferred to stream of cold nitrogen 
 (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 1.00 0.00 0.0570
2.00 0.00 -1.00 0.0270

_shelx_estimated_absorpt_T_min   0.347
_shelx_estimated_absorpt_T_max   0.638
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Incoatec ImS 2.0'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8-Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_type       
;
 Sparks R.A., Computational Crystallography p1-18 (Clarendon Press, 1982)
;
_diffrn_orient_matrix_UB_11      0.0569836
_diffrn_orient_matrix_UB_12      0.0741985
_diffrn_orient_matrix_UB_13      -0.0143025
_diffrn_orient_matrix_UB_21      -0.0580067
_diffrn_orient_matrix_UB_22      0.0015765
_diffrn_orient_matrix_UB_23      -0.0274392
_diffrn_orient_matrix_UB_31      -0.0547936
_diffrn_orient_matrix_UB_32      0.0754953
_diffrn_orient_matrix_UB_33      0.0146298
_diffrn_detector                 CPA
_diffrn_detector_type            'Photon II'
_diffrn_detector_area_resol_mean 7.5
_diffrn_reflns_number            66589
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_av_R_equivalents  0.0893
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.110
_diffrn_reflns_theta_max         26.020
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_standards_number         0
_reflns_number_total             5547
_reflns_number_gt                5073
_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       'BIS 6.2.14 / APEX4 ver. 2021.10 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.40B (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.40B (Bruker AXS)'
_computing_structure_solution    "SHELXT 2014/5 (Sheldrick, 2014)'"
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_refine_special_details          
;
The asymmetric unit contains one molecule of o-DFB, modelled as threefold rotationally disordered
(RESI 21/22/23 DFB) in a 54:11:35 ratio using SUMP and there FVAR. Benzene rings within the disorder 
were idealized with AFIX 66, ADPs were restrained to similarity with SIMU 0.01, and 
1,2- and 1,3-distances with SAME.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+26.1253P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5547
_refine_ls_number_parameters     382
_refine_ls_number_restraints     703
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0712
_refine_ls_wR_factor_gt          0.0697
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.679
_refine_diff_density_min         -1.393
_refine_diff_density_rms         0.183
_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_
_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_1 Pt 0.24935(2) 0.20009(3) 0.64902(2) 0.01118(7) Uani 1 1 d . . . . .
Pt2_1 Pt 0.26103(2) 0.37363(3) 0.57618(2) 0.01027(7) Uani 1 1 d . . . . .
Cl1_1 Cl 0.23948(18) 0.0377(2) 0.71386(6) 0.0237(4) Uani 1 1 d . . . . .
Cl2_1 Cl 0.09642(17) 0.67314(18) 0.51987(6) 0.0195(4) Uani 1 1 d . . . . .
Cl3_1 Cl 0.41856(17) 0.67186(18) 0.51196(6) 0.0206(4) Uani 1 1 d . . . . .
Si1_1 Si 0.25769(18) 0.52655(19) 0.51510(6) 0.0125(4) Uani 1 1 d . . . . .
P1_1 P 0.06874(17) 0.11559(19) 0.61331(6) 0.0157(4) Uani 1 1 d . . . . .
P2_1 P 0.25608(18) 0.16290(18) 0.53821(6) 0.0131(3) Uani 1 1 d . . . . .
P3_1 P 0.26752(18) 0.54543(19) 0.63096(6) 0.0145(4) Uani 1 1 d . . . . .
P4_1 P 0.43013(17) 0.31828(19) 0.67289(6) 0.0156(4) Uani 1 1 d . . . . .
C1_1 C -0.0129(8) -0.0397(8) 0.6361(3) 0.0274(18) Uani 1 1 d . . . . .
H1A_1 H -0.099363 -0.049722 0.621654 0.041 Uiso 1 1 calc R U . . .
H1B_1 H -0.023156 -0.029139 0.669267 0.041 Uiso 1 1 calc R U . . .
H1C_1 H 0.039892 -0.124049 0.629754 0.041 Uiso 1 1 calc R U . . .
C2_1 C -0.0636(7) 0.2407(8) 0.6065(3) 0.0237(17) Uani 1 1 d . . . . .
H2A_1 H -0.134045 0.197748 0.588241 0.036 Uiso 1 1 calc R U . . .
H2B_1 H -0.031337 0.325608 0.590965 0.036 Uiso 1 1 calc R U . . .
H2C_1 H -0.097373 0.266761 0.636694 0.036 Uiso 1 1 calc R U . . .
C3_1 C 0.1086(7) 0.0635(7) 0.5545(2) 0.0172(15) Uani 1 1 d . . . . .
H3A_1 H 0.034824 0.086465 0.533586 0.021 Uiso 1 1 calc R U . . .
H3B_1 H 0.125452 -0.039583 0.552944 0.021 Uiso 1 1 calc R U . . .
C4_1 C 0.3912(7) 0.0500(8) 0.5545(2) 0.0197(15) Uani 1 1 d . . . . .
H4A_1 H 0.378217 -0.044353 0.541271 0.030 Uiso 1 1 calc R U . . .
H4B_1 H 0.395540 0.042694 0.587916 0.030 Uiso 1 1 calc R U . . .
H4C_1 H 0.473249 0.090374 0.543099 0.030 Uiso 1 1 calc R U . . .
C5_1 C 0.2525(8) 0.1377(7) 0.4766(2) 0.0221(16) Uani 1 1 d . . . . .
H5A_1 H 0.246153 0.036360 0.469637 0.033 Uiso 1 1 calc R U . . .
H5B_1 H 0.333044 0.175956 0.463277 0.033 Uiso 1 1 calc R U . . .
H5C_1 H 0.176473 0.187035 0.463495 0.033 Uiso 1 1 calc R U . . .
C6_1 C 0.2456(7) 0.4817(8) 0.4529(2) 0.0186(15) Uani 1 1 d . . . . .
H6A_1 H 0.249356 0.568776 0.434703 0.028 Uiso 1 1 calc R U . . .
H6B_1 H 0.162425 0.432962 0.446781 0.028 Uiso 1 1 calc R U . . .
H6C_1 H 0.318669 0.419711 0.444485 0.028 Uiso 1 1 calc R U . . .
C7_1 C 0.2953(9) 0.7317(8) 0.6187(3) 0.0263(18) Uani 1 1 d . . . . .
H7A_1 H 0.297326 0.785249 0.647416 0.039 Uiso 1 1 calc R U . . .
H7B_1 H 0.224296 0.767449 0.599089 0.039 Uiso 1 1 calc R U . . .
H7C_1 H 0.379212 0.742726 0.602973 0.039 Uiso 1 1 calc R U . . .
C8_1 C 0.1174(7) 0.5493(9) 0.6644(3) 0.0263(17) Uani 1 1 d . . . . .
H8A_1 H 0.124985 0.621948 0.688229 0.039 Uiso 1 1 calc R U . . .
H8B_1 H 0.103729 0.456680 0.678677 0.039 Uiso 1 1 calc R U . . .
H8C_1 H 0.042925 0.571459 0.644275 0.039 Uiso 1 1 calc R U . . .
C9_1 C 0.5731(7) 0.2986(9) 0.6368(3) 0.0254(17) Uani 1 1 d . . . . .
H9A_1 H 0.639010 0.369434 0.645344 0.038 Uiso 1 1 calc R U . . .
H9B_1 H 0.547469 0.312147 0.604658 0.038 Uiso 1 1 calc R U . . .
H9C_1 H 0.609945 0.203532 0.640757 0.038 Uiso 1 1 calc R U . . .
C10_1 C 0.3985(7) 0.5087(7) 0.6728(2) 0.0183(15) Uani 1 1 d . . . . .
H10A_1 H 0.479122 0.560744 0.664341 0.022 Uiso 1 1 calc R U . . .
H10B_1 H 0.371469 0.540046 0.703605 0.022 Uiso 1 1 calc R U . . .
C11_1 C 0.4934(8) 0.2846(8) 0.7299(3) 0.0238(16) Uani 1 1 d . . . . .
H11A_1 H 0.573674 0.339776 0.734776 0.036 Uiso 1 1 calc R U . . .
H11B_1 H 0.513020 0.183588 0.733184 0.036 Uiso 1 1 calc R U . . .
H11C_1 H 0.427768 0.312348 0.752499 0.036 Uiso 1 1 calc R U . . .
F1_21 F 0.1970(10) 0.3030(12) 0.3601(4) 0.048(2) Uani 0.540(3) 1 d D U P A 1
F2_21 F 0.3699(12) 0.1000(12) 0.3619(4) 0.059(3) Uani 0.540(3) 1 d D U P A 1
C1_21 C 0.2720(14) 0.2828(16) 0.3256(4) 0.041(2) Uani 0.540(3) 1 d DG U P A 1
C2_21 C 0.3660(14) 0.1765(14) 0.3243(4) 0.043(2) Uani 0.540(3) 1 d DG U P A 1
C3_21 C 0.4467(11) 0.1633(12) 0.2864(4) 0.044(2) Uani 0.540(3) 1 d DG U P A 1
H3_21 H 0.510954 0.090570 0.285453 0.053 Uiso 0.540(3) 1 calc R U P A 1
C4_21 C 0.4332(12) 0.2564(15) 0.2498(4) 0.046(3) Uani 0.540(3) 1 d DG U P A 1
H4_21 H 0.488307 0.247417 0.223910 0.055 Uiso 0.540(3) 1 calc R U P A 1
C5_21 C 0.3391(14) 0.3628(14) 0.2512(4) 0.047(3) Uani 0.540(3) 1 d DG U P A 1
H5_21 H 0.329945 0.426479 0.226189 0.056 Uiso 0.540(3) 1 calc R U P A 1
C6_21 C 0.2585(13) 0.3760(13) 0.2891(4) 0.042(2) Uani 0.540(3) 1 d DG U P A 1
H6_21 H 0.194228 0.448694 0.290012 0.051 Uiso 0.540(3) 1 calc R U P A 1
F1_22 F 0.229(5) 0.413(5) 0.2456(16) 0.053(5) Uani 0.106(3) 1 d D U P B 2
F2_22 F 0.172(4) 0.342(5) 0.3320(17) 0.045(5) Uani 0.106(3) 1 d D U P B 2
C1_22 C 0.312(5) 0.342(6) 0.2700(16) 0.045(3) Uani 0.106(3) 1 d DG U P B 2
C2_22 C 0.277(5) 0.288(7) 0.3124(16) 0.043(2) Uani 0.106(3) 1 d DG U P B 2
C3_22 C 0.350(6) 0.179(7) 0.3320(19) 0.043(3) Uani 0.106(3) 1 d DG U P B 2
H3_22 H 0.325857 0.141860 0.361008 0.052 Uiso 0.106(3) 1 calc R U P B 2
C4_22 C 0.458(6) 0.125(7) 0.309(2) 0.044(3) Uani 0.106(3) 1 d DG U P B 2
H4_22 H 0.507793 0.050413 0.322660 0.053 Uiso 0.106(3) 1 calc R U P B 2
C5_22 C 0.493(5) 0.179(7) 0.267(2) 0.044(3) Uani 0.106(3) 1 d DG U P B 2
H5_22 H 0.566692 0.141964 0.251290 0.053 Uiso 0.106(3) 1 calc R U P B 2
C6_22 C 0.420(5) 0.288(7) 0.2472(17) 0.046(3) Uani 0.106(3) 1 d DG U P B 2
H6_22 H 0.443655 0.324965 0.218268 0.055 Uiso 0.106(3) 1 calc R U P B 2
F1_23 F 0.3353(18) 0.361(2) 0.2235(6) 0.065(4) Uani 0.354(3) 1 d D U P C 3
F2_23 F 0.1862(14) 0.4464(16) 0.2940(6) 0.046(3) Uani 0.354(3) 1 d D U P C 3
C1_23 C 0.350(2) 0.300(2) 0.2627(5) 0.045(2) Uani 0.354(3) 1 d DG U P C 3
C2_23 C 0.272(2) 0.342(2) 0.2990(6) 0.043(2) Uani 0.354(3) 1 d DG U P C 3
C3_23 C 0.285(2) 0.276(2) 0.3413(6) 0.043(3) Uani 0.354(3) 1 d DG U P C 3
H3_23 H 0.230807 0.304098 0.366073 0.051 Uiso 0.354(3) 1 calc R U P C 3
C4_23 C 0.376(2) 0.168(2) 0.3473(6) 0.044(3) Uani 0.354(3) 1 d DG U P C 3
H4_23 H 0.384985 0.123150 0.376248 0.053 Uiso 0.354(3) 1 calc R U P C 3
C5_23 C 0.4548(19) 0.127(2) 0.3111(8) 0.044(3) Uani 0.354(3) 1 d DG U P C 3
H5_23 H 0.517412 0.053381 0.315202 0.052 Uiso 0.354(3) 1 calc R U P C 3
C6_23 C 0.4419(18) 0.193(2) 0.2688(6) 0.045(2) Uani 0.354(3) 1 d DG U P C 3
H6_23 H 0.495661 0.164561 0.243979 0.054 Uiso 0.354(3) 1 calc R U P C 3


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_1 P1_1 2.2562(19) . ?
Pt1_1 P4_1 2.2612(19) . ?
Pt1_1 Cl1_1 2.4402(17) . ?
Pt1_1 Pt2_1 2.6897(6) . ?
Pt2_1 P2_1 2.2792(18) . ?
Pt2_1 P3_1 2.2798(18) . ?
Pt2_1 Si1_1 2.2960(18) . ?
Cl2_1 Si1_1 2.155(2) . ?
Cl3_1 Si1_1 2.142(3) . ?
Si1_1 C6_1 1.871(7) . ?
P1_1 C2_1 1.804(7) . ?
P1_1 C1_1 1.816(7) . ?
P1_1 C3_1 1.835(7) . ?
P2_1 C4_1 1.803(7) . ?
P2_1 C5_1 1.817(7) . ?
P2_1 C3_1 1.839(7) . ?
P3_1 C7_1 1.818(8) . ?
P3_1 C8_1 1.822(8) . ?
P3_1 C10_1 1.837(7) . ?
P4_1 C11_1 1.809(7) . ?
P4_1 C9_1 1.816(8) . ?
P4_1 C10_1 1.828(7) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3B_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9800 . ?
C8_1 H8B_1 0.9800 . ?
C8_1 H8C_1 0.9800 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9900 . ?
C10_1 H10B_1 0.9900 . ?
C11_1 H11A_1 0.9800 . ?
C11_1 H11B_1 0.9800 . ?
C11_1 H11C_1 0.9800 . ?
F1_21 C1_21 1.283(13) . ?
F2_21 C2_21 1.314(13) . ?
C1_21 C2_21 1.3900 . ?
C1_21 C6_21 1.3900 . ?
C2_21 C3_21 1.3900 . ?
C3_21 C4_21 1.3900 . ?
C3_21 H3_21 0.9500 . ?
C4_21 C5_21 1.3900 . ?
C4_21 H4_21 0.9500 . ?
C5_21 C6_21 1.3900 . ?
C5_21 H5_21 0.9500 . ?
C6_21 H6_21 0.9500 . ?
F1_22 C1_22 1.29(2) . ?
F2_22 C2_22 1.316(19) . ?
C1_22 C2_22 1.3900 . ?
C1_22 C6_22 1.3900 . ?
C2_22 C3_22 1.3900 . ?
C3_22 C4_22 1.3900 . ?
C3_22 H3_22 0.9500 . ?
C4_22 C5_22 1.3900 . ?
C4_22 H4_22 0.9500 . ?
C5_22 C6_22 1.3900 . ?
C5_22 H5_22 0.9500 . ?
C6_22 H6_22 0.9500 . ?
F1_23 C1_23 1.288(17) . ?
F2_23 C2_23 1.324(15) . ?
C1_23 C2_23 1.3900 . ?
C1_23 C6_23 1.3900 . ?
C2_23 C3_23 1.3900 . ?
C3_23 C4_23 1.3900 . ?
C3_23 H3_23 0.9500 . ?
C4_23 C5_23 1.3900 . ?
C4_23 H4_23 0.9500 . ?
C5_23 C6_23 1.3900 . ?
C5_23 H5_23 0.9500 . ?
C6_23 H6_23 0.9500 . ?

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
P1_1 Pt1_1 P4_1 168.05(7) . . ?
P1_1 Pt1_1 Cl1_1 95.65(7) . . ?
P4_1 Pt1_1 Cl1_1 96.27(7) . . ?
P1_1 Pt1_1 Pt2_1 83.71(5) . . ?
P4_1 Pt1_1 Pt2_1 84.39(5) . . ?
Cl1_1 Pt1_1 Pt2_1 178.59(5) . . ?
P2_1 Pt2_1 P3_1 164.54(6) . . ?
P2_1 Pt2_1 Si1_1 99.84(7) . . ?
P3_1 Pt2_1 Si1_1 95.62(7) . . ?
P2_1 Pt2_1 Pt1_1 81.49(5) . . ?
P3_1 Pt2_1 Pt1_1 83.09(5) . . ?
Si1_1 Pt2_1 Pt1_1 176.33(5) . . ?
C6_1 Si1_1 Cl3_1 98.5(2) . . ?
C6_1 Si1_1 Cl2_1 99.4(2) . . ?
Cl3_1 Si1_1 Cl2_1 100.15(10) . . ?
C6_1 Si1_1 Pt2_1 127.8(2) . . ?
Cl3_1 Si1_1 Pt2_1 115.45(10) . . ?
Cl2_1 Si1_1 Pt2_1 111.15(9) . . ?
C2_1 P1_1 C1_1 103.0(4) . . ?
C2_1 P1_1 C3_1 104.1(3) . . ?
C1_1 P1_1 C3_1 103.4(4) . . ?
C2_1 P1_1 Pt1_1 115.3(3) . . ?
C1_1 P1_1 Pt1_1 119.4(3) . . ?
C3_1 P1_1 Pt1_1 110.0(2) . . ?
C4_1 P2_1 C5_1 101.1(3) . . ?
C4_1 P2_1 C3_1 104.8(3) . . ?
C5_1 P2_1 C3_1 100.3(3) . . ?
C4_1 P2_1 Pt2_1 112.0(3) . . ?
C5_1 P2_1 Pt2_1 126.7(2) . . ?
C3_1 P2_1 Pt2_1 109.6(2) . . ?
C7_1 P3_1 C8_1 102.6(4) . . ?
C7_1 P3_1 C10_1 101.5(4) . . ?
C8_1 P3_1 C10_1 104.9(4) . . ?
C7_1 P3_1 Pt2_1 123.7(3) . . ?
C8_1 P3_1 Pt2_1 111.8(3) . . ?
C10_1 P3_1 Pt2_1 110.5(2) . . ?
C11_1 P4_1 C9_1 103.6(4) . . ?
C11_1 P4_1 C10_1 103.7(3) . . ?
C9_1 P4_1 C10_1 104.0(4) . . ?
C11_1 P4_1 Pt1_1 118.8(3) . . ?
C9_1 P4_1 Pt1_1 115.2(3) . . ?
C10_1 P4_1 Pt1_1 110.0(2) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P1_1 C3_1 P2_1 107.0(4) . . ?
P1_1 C3_1 H3A_1 110.3 . . ?
P2_1 C3_1 H3A_1 110.3 . . ?
P1_1 C3_1 H3B_1 110.3 . . ?
P2_1 C3_1 H3B_1 110.3 . . ?
H3A_1 C3_1 H3B_1 108.6 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
Si1_1 C6_1 H6A_1 109.5 . . ?
Si1_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
Si1_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P3_1 C7_1 H7A_1 109.5 . . ?
P3_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P3_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P3_1 C8_1 H8A_1 109.5 . . ?
P3_1 C8_1 H8B_1 109.5 . . ?
H8A_1 C8_1 H8B_1 109.5 . . ?
P3_1 C8_1 H8C_1 109.5 . . ?
H8A_1 C8_1 H8C_1 109.5 . . ?
H8B_1 C8_1 H8C_1 109.5 . . ?
P4_1 C9_1 H9A_1 109.5 . . ?
P4_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P4_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P4_1 C10_1 P3_1 108.3(3) . . ?
P4_1 C10_1 H10A_1 110.0 . . ?
P3_1 C10_1 H10A_1 110.0 . . ?
P4_1 C10_1 H10B_1 110.0 . . ?
P3_1 C10_1 H10B_1 110.0 . . ?
H10A_1 C10_1 H10B_1 108.4 . . ?
P4_1 C11_1 H11A_1 109.5 . . ?
P4_1 C11_1 H11B_1 109.5 . . ?
H11A_1 C11_1 H11B_1 109.5 . . ?
P4_1 C11_1 H11C_1 109.5 . . ?
H11A_1 C11_1 H11C_1 109.5 . . ?
H11B_1 C11_1 H11C_1 109.5 . . ?
F1_21 C1_21 C2_21 123.1(10) . . ?
F1_21 C1_21 C6_21 116.9(10) . . ?
C2_21 C1_21 C6_21 120.0 . . ?
F2_21 C2_21 C1_21 112.9(10) . . ?
F2_21 C2_21 C3_21 127.0(10) . . ?
C1_21 C2_21 C3_21 120.0 . . ?
C4_21 C3_21 C2_21 120.0 . . ?
C4_21 C3_21 H3_21 120.0 . . ?
C2_21 C3_21 H3_21 120.0 . . ?
C3_21 C4_21 C5_21 120.0 . . ?
C3_21 C4_21 H4_21 120.0 . . ?
C5_21 C4_21 H4_21 120.0 . . ?
C6_21 C5_21 C4_21 120.0 . . ?
C6_21 C5_21 H5_21 120.0 . . ?
C4_21 C5_21 H5_21 120.0 . . ?
C5_21 C6_21 C1_21 120.0 . . ?
C5_21 C6_21 H6_21 120.0 . . ?
C1_21 C6_21 H6_21 120.0 . . ?
F1_22 C1_22 C2_22 121(2) . . ?
F1_22 C1_22 C6_22 116(2) . . ?
C2_22 C1_22 C6_22 120.0 . . ?
F2_22 C2_22 C3_22 123(2) . . ?
F2_22 C2_22 C1_22 117(2) . . ?
C3_22 C2_22 C1_22 120.0 . . ?
C4_22 C3_22 C2_22 120.0 . . ?
C4_22 C3_22 H3_22 120.0 . . ?
C2_22 C3_22 H3_22 120.0 . . ?
C3_22 C4_22 C5_22 120.0 . . ?
C3_22 C4_22 H4_22 120.0 . . ?
C5_22 C4_22 H4_22 120.0 . . ?
C4_22 C5_22 C6_22 120.0 . . ?
C4_22 C5_22 H5_22 120.0 . . ?
C6_22 C5_22 H5_22 120.0 . . ?
C5_22 C6_22 C1_22 120.0 . . ?
C5_22 C6_22 H6_22 120.0 . . ?
C1_22 C6_22 H6_22 120.0 . . ?
F1_23 C1_23 C2_23 119.3(15) . . ?
F1_23 C1_23 C6_23 120.7(15) . . ?
C2_23 C1_23 C6_23 120.0 . . ?
F2_23 C2_23 C1_23 120.6(14) . . ?
F2_23 C2_23 C3_23 119.4(14) . . ?
C1_23 C2_23 C3_23 120.0 . . ?
C4_23 C3_23 C2_23 120.0 . . ?
C4_23 C3_23 H3_23 120.0 . . ?
C2_23 C3_23 H3_23 120.0 . . ?
C5_23 C4_23 C3_23 120.0 . . ?
C5_23 C4_23 H4_23 120.0 . . ?
C3_23 C4_23 H4_23 120.0 . . ?
C6_23 C5_23 C4_23 120.0 . . ?
C6_23 C5_23 H5_23 120.0 . . ?
C4_23 C5_23 H5_23 120.0 . . ?
C5_23 C6_23 C1_23 120.0 . . ?
C5_23 C6_23 H6_23 120.0 . . ?
C1_23 C6_23 H6_23 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2_1 P1_1 C3_1 P2_1 101.1(4) . . . . ?
C1_1 P1_1 C3_1 P2_1 -151.5(4) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 -22.9(4) . . . . ?
C4_1 P2_1 C3_1 P1_1 90.7(4) . . . . ?
C5_1 P2_1 C3_1 P1_1 -164.8(4) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 -29.6(4) . . . . ?
C11_1 P4_1 C10_1 P3_1 -153.2(4) . . . . ?
C9_1 P4_1 C10_1 P3_1 98.7(4) . . . . ?
Pt1_1 P4_1 C10_1 P3_1 -25.2(4) . . . . ?
C7_1 P3_1 C10_1 P4_1 -158.0(4) . . . . ?
C8_1 P3_1 C10_1 P4_1 95.4(4) . . . . ?
Pt2_1 P3_1 C10_1 P4_1 -25.2(4) . . . . ?
F1_21 C1_21 C2_21 F2_21 -0.2(13) . . . . ?
C6_21 C1_21 C2_21 F2_21 177.9(14) . . . . ?
F1_21 C1_21 C2_21 C3_21 -178.1(16) . . . . ?
C6_21 C1_21 C2_21 C3_21 0.0 . . . . ?
F2_21 C2_21 C3_21 C4_21 -177.6(16) . . . . ?
C1_21 C2_21 C3_21 C4_21 0.0 . . . . ?
C2_21 C3_21 C4_21 C5_21 0.0 . . . . ?
C3_21 C4_21 C5_21 C6_21 0.0 . . . . ?
C4_21 C5_21 C6_21 C1_21 0.0 . . . . ?
F1_21 C1_21 C6_21 C5_21 178.2(15) . . . . ?
C2_21 C1_21 C6_21 C5_21 0.0 . . . . ?
F1_22 C1_22 C2_22 F2_22 -18(7) . . . . ?
C6_22 C1_22 C2_22 F2_22 -179(7) . . . . ?
F1_22 C1_22 C2_22 C3_22 161(7) . . . . ?
C6_22 C1_22 C2_22 C3_22 0.0 . . . . ?
F2_22 C2_22 C3_22 C4_22 179(7) . . . . ?
C1_22 C2_22 C3_22 C4_22 0.0 . . . . ?
C2_22 C3_22 C4_22 C5_22 0.0 . . . . ?
C3_22 C4_22 C5_22 C6_22 0.0 . . . . ?
C4_22 C5_22 C6_22 C1_22 0.0 . . . . ?
F1_22 C1_22 C6_22 C5_22 -162(6) . . . . ?
C2_22 C1_22 C6_22 C5_22 0.0 . . . . ?
F1_23 C1_23 C2_23 F2_23 -3(2) . . . . ?
C6_23 C1_23 C2_23 F2_23 178(2) . . . . ?
F1_23 C1_23 C2_23 C3_23 179(2) . . . . ?
C6_23 C1_23 C2_23 C3_23 0.0 . . . . ?
F2_23 C2_23 C3_23 C4_23 -178(2) . . . . ?
C1_23 C2_23 C3_23 C4_23 0.0 . . . . ?
C2_23 C3_23 C4_23 C5_23 0.0 . . . . ?
C3_23 C4_23 C5_23 C6_23 0.0 . . . . ?
C4_23 C5_23 C6_23 C1_23 0.0 . . . . ?
F1_23 C1_23 C6_23 C5_23 -179(2) . . . . ?
C2_23 C1_23 C6_23 C5_23 0.0 . . . . ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: o-DFB/Pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
####################################################################### 
# 
# 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_MaPa103_MaPa_a
_database_code_depnum_ccdc_archive 'CCDC 2406564'
loop_
_audit_author_name
_audit_author_address
'Max Passargus'
;University Wuerzburg
Germany
;
_audit_update_record             
;
2025-11-26 deposited with the CCDC.	2026-04-06 downloaded from the CCDC.
;

_audit_creation_method           'CIF-fill 1.6i (K.Radacki, 2005-25)'
_audit_creation_date             2025-10-28
_shelx_SHELXL_version_number     2019/2
_chemical_formula_moiety         'C10 H28 Cl4 P4 Pt2 Si, C6 H6'
_chemical_formula_sum            'C16 H34 Cl4 P4 Pt2 Si'
_chemical_formula_weight         910.38
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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'

_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                   9.58710(10)
_cell_length_b                   29.4441(2)
_cell_length_c                   9.73830(10)
_cell_angle_alpha                90
_cell_angle_beta                 94.3660(10)
_cell_angle_gamma                90
_cell_volume                     2740.98(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    35877
_cell_measurement_theta_min      2.9910
_cell_measurement_theta_max      74.7850

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    25.058
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.089
_exptl_absorpt_correction_T_max  0.599
_exptl_absorpt_process_details   
;
 CrysAlisPro 1.171.43.100a (Rigaku Oxford Diffraction, 2023) 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_crystal_preparation       
;
 Crystals were grown at room temperature °C from saturated solution in 
 benzene pentane. For data collection the crystal was immersed in a film of 
 perfluoropolyether oil, mounted on a polyimide loop and transferred to 
 stream of cold nitrogen (Oxford Cryostream 800).
;
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 1 1 0.0324
-1 -1 -1 0.1132
0 1 -1 0.1284
0 -1 1 0.0525
0 -1 -1 0.1494
-1 -1 1 0.0441
1 -1 -1 0.1102
-1 1 1 0.0325
0 1 0 0.0066
0 -1 0 0.0343
1 -1 0 0.0113
-1 1 0 0.0207
1 1 0 0.0072
-1 -1 0 0.0254

_shelx_estimated_absorpt_T_min   0.082
_shelx_estimated_absorpt_T_max   0.520
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_xray_symbol    K-L~2,3~
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_source                   'rotating-anode X-ray tube'
_diffrn_source_type              'PhotonJet-R X-ray Source'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-R'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_details      
;
 
 List of Runs (angles in degrees, time in seconds):
 --------------------------------------------------------------------------
  1  ω     58.00  88.00   0.50    0.60    --   42.00  52.00 172.66   60
  2  ω     54.00  84.00   0.50    0.60    --   38.00  52.00 178.90   60
  3  ω     54.00  85.00   0.50    0.60    --   38.00  51.00 168.81   62
  4  ω     62.00  92.00   0.50    0.60    --   46.00  52.00 142.52   60
  5  ω     50.00  81.00   0.50    0.60    --   34.00  51.00  -4.70   62
  6  ω     66.00  96.00   0.50    0.60    --   50.00  52.00-168.20   60
  7  ω     58.00  88.00   0.50    0.60    --   42.00  52.00-173.38   60
  8  ω     92.00 118.00   0.50    0.60    --   73.62  15.00-150.00   52
  9  ω     47.00  88.00   0.50    0.60    --   73.62  15.00-150.00   82
 10  ω     60.00  94.00   0.50    0.60    --   83.27  15.00 -90.00   68
 11  ω    103.00 131.00   0.50    0.60    --   83.27  15.00 -90.00   56
 12  ω     89.00 131.00   0.50    0.60    --   83.27  15.00 150.00   84
 13  ω     20.00  66.00   0.50    0.60    --   60.24 -95.00 -60.00   92
 14  ω     33.00  78.00   0.50    0.60    --   73.62 -95.00 -90.00   90
 15  ω     41.00  73.00   0.50    0.60    --   83.27-125.00-150.00   64
 16  ω     45.00  88.00   0.50    0.60    --   83.27 -95.00-150.00   86
 17  ω     49.00  86.00   0.50    0.60    --   83.27 -95.00  30.00   74
 18  ω    -86.00 -41.00   0.50    0.60    --  -79.13 116.00  31.27   90
 19  ω    -96.00 -27.00   0.50    0.60    --  -72.04 125.00 120.00  138
 20  ω    -85.00 -17.00   0.50    0.60    --  -61.82 125.00  30.00  136
 21  ω    -68.00 -34.00   0.50    0.60    --  -75.84 125.00   0.00   68
 22  ω    -85.00 -17.00   0.50    0.60    --  -61.82 125.00 -60.00  136
 23  ω    -93.00 -67.00   0.50    0.60    --  -75.84 125.00 -60.00   52
 24  ω    -58.00 -32.00   0.50    0.60    --  -75.84 125.00 -60.00   52
 25  ω    -66.00 -31.00   0.50    0.60    --  -75.84 125.00 -90.00   70
 26  ω    -99.00 -72.00   0.50    0.60    --  -75.84 125.00 -90.00   54
 27  ω    -71.00 -37.00   0.50    0.60    --  -75.84 125.00-180.00   68
 28  ω    -95.00 -32.00   0.50    0.60    --  -75.84 125.00  90.00  126
 29  ω    -54.00 -28.00   0.50    0.60    --  -14.00 -59.00 161.97   52
 30  ω    -68.00 -37.00   0.50    0.60    --  -22.00 -52.00 129.13   62
 31  ω    -88.00 -57.00   0.50    0.60    --  -42.00 -52.00  97.73   62
 32  ω   -115.00 -88.00   0.50    0.60    --  -74.00 -60.00 173.89   54
 33  ω   -120.00 -94.00   0.50    0.60    --  -79.13 -64.00 174.06   52
 34  ω   -114.00 -85.00   0.50    0.60    --  -70.00 -59.00 155.31   58
 35  ω   -115.00 -89.00   0.50    0.60    --  -74.00 -60.00 146.92   52
 36  ω   -115.00 -89.00   0.50    0.60    --  -74.00 -59.00 123.17   52
 37  ω   -119.00 -93.00   0.50    0.60    --  -79.13 -59.00 112.38   52
 38  ω   -115.00 -85.00   0.50    0.60    --  -70.00 -58.00 165.95   60
 39  ω   -113.00 -88.00   0.50    0.60    --  -74.00 -59.00 115.07   50
 40  ω   -119.00 -93.00   0.50    0.60    --  -79.13 -63.00  57.35   52
 41  ω   -118.00 -93.00   0.50    0.60    --  -74.00 -60.00  28.79   50
 42  ω   -114.00 -88.00   0.50    0.60    --  -74.00 -58.00 130.58   52
 43  ω   -115.00 -89.00   0.50    0.60    --  -74.00 -57.00 138.42   52
 44  ω   -115.00 -84.00   0.50    0.60    --  -70.00 -57.00  95.69   62
 45  ω   -115.00 -84.00   0.50    0.60    --  -70.00 -57.00 122.47   62
 46  ω   -114.00 -89.00   0.50    0.60    --  -74.00 -55.00 130.81   50
 47  ω   -116.00 -90.00   0.50    0.60    --  -74.00 -57.00  36.88   52
 48  ω   -117.00 -89.00   0.50    0.60    --  -74.00 -53.00 -89.41   56
 49  ω   -118.00 -92.00   0.50    0.60    --  -79.13 -62.00-170.85   52
 50  ω   -115.00 -89.00   0.50    0.60    --  -74.00 -58.00-173.79   52
 51  ω   -115.00 -85.00   0.50    0.60    --  -70.00 -58.00-167.83   60
 52  ω   -111.00 -83.00   0.50    0.60    --  -66.00 -55.00-158.95   56
 53  ω   -123.00 -94.00   0.50    0.60    --  -79.13 -52.00 -46.94   58
 54  ω   -108.00 -78.00   0.50    0.60    --  -62.00 -51.00 -70.09   60
 55  ω   -100.00 -70.00   0.50    0.60    --  -54.00 -51.00  88.10   60
 56  ω   -121.00 -94.00   0.50    0.60    --  -79.13 -52.00 144.88   54
 57  ω   -112.00 -82.00   0.50    0.60    --  -66.00 -51.00 162.15   60
 58  ω   -113.00 -82.00   0.50    0.60    --  -66.00 -50.00 135.50   62
 59  ω   -104.00 -73.00   0.50    0.60    --  -58.00 -52.00 134.62   62
 60  ω   -105.00 -74.00   0.50    0.60    --  -58.00 -49.00 155.27   62
 61  ω   -121.00 -95.00   0.50    0.60    --  -79.13 -51.00  85.11   52
 62  ω   -109.00 -78.00   0.50    0.60    --  -62.00 -48.00 117.06   62
 63  ω   -108.00 -78.00   0.50    0.60    --  -62.00 -51.00 110.60   60
 64  ω   -113.00 -82.00   0.50    0.60    --  -66.00 -50.00 102.62   62
 65  ω   -105.00 -74.00   0.50    0.60    --  -58.00 -50.00  81.32   62
 66  ω   -113.00 -82.00   0.50    0.60    --  -66.00 -47.00   2.55   62
 67  ω   -118.00 -85.00   0.50    0.60    --  -70.00 -42.00 -47.19   66
 68  ω   -125.00-100.00   0.50    0.60    --  -79.13 -36.00 -90.35   50
 69  ω   -124.00 -95.00   0.50    0.60    --  -79.13 -37.00-116.55   58
 70  ω   -111.00 -76.00   0.50    0.60    --  -62.00 -39.00 -37.32   70
 71  ω   -119.00 -88.00   0.50    0.60    --  -74.00 -36.00  60.45   62
;
_diffrn_orient_matrix_type       
;
 CrysAlisPro convention (1999,Acta A55,543-557)
;
_diffrn_orient_matrix_UB_11      0.0831341000
_diffrn_orient_matrix_UB_12      -0.0249677000
_diffrn_orient_matrix_UB_13      -0.1062204000
_diffrn_orient_matrix_UB_21      -0.1105491000
_diffrn_orient_matrix_UB_22      0.0138966000
_diffrn_orient_matrix_UB_23      -0.1154255000
_diffrn_orient_matrix_UB_31      0.0823123000
_diffrn_orient_matrix_UB_32      0.0438956000
_diffrn_orient_matrix_UB_33      -0.0239964000
_diffrn_detector                 HPA
_diffrn_detector_type            'HyPix Arc150'
_diffrn_detector_area_resol_mean 10.0
_diffrn_reflns_number            51489
_diffrn_reflns_av_unetI/netI     0.0139
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.002
_diffrn_reflns_theta_max         68.250
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5026
_reflns_number_gt                4934
_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       
;
 CrysAlisPro system (CCD 43.104a 64-bit (release 22-12-2023))
;
_computing_cell_refinement       'CrysAlisPro 1.171.43.100a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.100a (Rigaku OD, 2023)'
_computing_structure_solution    "SHELXT 2014/5 (Sheldrick, 2014)'"
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    'ShelXLe (Huebschle et all, 2011)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'

_refine_special_details          
;
The asymmetric unit contains one benzene molecule, which was modelled as twofold rotationally disordered
(RESI 21/22 BENZ) in a 53:47 ratio. The benzene rings within the disorder were idealized with AFIX 66 and 
ADPs restrained to similarity with AFIX 0.01.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0192P)²+5.8261P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5026
_refine_ls_number_parameters     283
_refine_ls_number_restraints     180
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0182
_refine_ls_wR_factor_ref         0.0440
_refine_ls_wR_factor_gt          0.0437
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.044
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.096
_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_
_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_1 Pt 0.40437(2) 0.33851(2) 0.50862(2) 0.01840(5) Uani 1 1 d . . . . .
Pt2_1 Pt 0.26401(2) 0.39795(2) 0.65184(2) 0.01635(4) Uani 1 1 d . . . . .
Si1_1 Si 0.16935(9) 0.46169(3) 0.74319(9) 0.01909(18) Uani 1 1 d . . . . .
Cl1_1 Cl 0.54259(11) 0.28965(3) 0.37239(10) 0.0391(2) Uani 1 1 d . . . . .
Cl2_1 Cl 0.28028(9) 0.51933(3) 0.68000(10) 0.02839(18) Uani 1 1 d . . . . .
Cl3_1 Cl 0.17891(9) 0.47113(3) 0.95746(9) 0.02739(17) Uani 1 1 d . . . . .
Cl4_1 Cl -0.03501(9) 0.48472(3) 0.69356(10) 0.03179(19) Uani 1 1 d . . . . .
P1_1 P 0.49362(9) 0.31293(3) 0.71552(9) 0.02158(17) Uani 1 1 d . . . . .
P2_1 P 0.48354(8) 0.41319(3) 0.75027(9) 0.01929(17) Uani 1 1 d . . . . .
P3_1 P 0.07865(9) 0.36698(3) 0.52319(9) 0.02092(17) Uani 1 1 d . . . . .
P4_1 P 0.29527(9) 0.37508(3) 0.32563(9) 0.02156(17) Uani 1 1 d . . . . .
C1_1 C 0.3708(4) 0.29212(12) 0.8335(4) 0.0303(8) Uani 1 1 d . . . . .
H1A_1 H 0.420978 0.284956 0.922352 0.045 Uiso 1 1 calc R U . . .
H1B_1 H 0.324838 0.264673 0.795404 0.045 Uiso 1 1 calc R U . . .
H1C_1 H 0.300248 0.315485 0.846665 0.045 Uiso 1 1 calc R U . . .
C2_1 C 0.6301(4) 0.26990(12) 0.7208(4) 0.0323(9) Uani 1 1 d . . . . .
H2A_1 H 0.664732 0.264393 0.816680 0.048 Uiso 1 1 calc R U . . .
H2B_1 H 0.707171 0.280461 0.668499 0.048 Uiso 1 1 calc R U . . .
H2C_1 H 0.591816 0.241653 0.680238 0.048 Uiso 1 1 calc R U . . .
C3_1 C 0.5754(4) 0.36094(11) 0.8079(4) 0.0261(8) Uani 1 1 d . . . . .
H3A_1 H 0.675283 0.362944 0.789113 0.031 Uiso 1 1 calc R U . . .
H3B_1 H 0.569906 0.356906 0.908258 0.031 Uiso 1 1 calc R U . . .
C4_1 C 0.5911(4) 0.43857(12) 0.6259(4) 0.0276(8) Uani 1 1 d . . . . .
H4A_1 H 0.684030 0.445231 0.670174 0.041 Uiso 1 1 calc R U . . .
H4B_1 H 0.547422 0.466789 0.590836 0.041 Uiso 1 1 calc R U . . .
H4C_1 H 0.599921 0.417414 0.549348 0.041 Uiso 1 1 calc R U . . .
C5_1 C 0.5186(4) 0.44973(12) 0.8998(4) 0.0296(8) Uani 1 1 d . . . . .
H5A_1 H 0.619686 0.451326 0.923224 0.044 Uiso 1 1 calc R U . . .
H5B_1 H 0.472531 0.437253 0.977991 0.044 Uiso 1 1 calc R U . . .
H5C_1 H 0.482324 0.480260 0.878702 0.044 Uiso 1 1 calc R U . . .
C6_1 C -0.1011(4) 0.38481(13) 0.5335(4) 0.0311(8) Uani 1 1 d . . . . .
H6A_1 H -0.162806 0.365666 0.473083 0.047 Uiso 1 1 calc R U . . .
H6B_1 H -0.111169 0.416569 0.504333 0.047 Uiso 1 1 calc R U . . .
H6C_1 H -0.126631 0.381823 0.628629 0.047 Uiso 1 1 calc R U . . .
C7_1 C 0.0621(4) 0.30600(12) 0.5471(4) 0.0304(8) Uani 1 1 d . . . . .
H7A_1 H -0.019135 0.294776 0.489882 0.046 Uiso 1 1 calc R U . . .
H7B_1 H 0.049709 0.299537 0.644143 0.046 Uiso 1 1 calc R U . . .
H7C_1 H 0.146841 0.290837 0.520187 0.046 Uiso 1 1 calc R U . . .
C8_1 C 0.1057(4) 0.37423(13) 0.3406(4) 0.0270(8) Uani 1 1 d . . . . .
H8A_1 H 0.063018 0.403034 0.305846 0.032 Uiso 1 1 calc R U . . .
H8B_1 H 0.062196 0.348826 0.286218 0.032 Uiso 1 1 calc R U . . .
C9_1 C 0.3359(4) 0.43520(12) 0.3123(4) 0.0284(8) Uani 1 1 d . . . . .
H9A_1 H 0.281802 0.448192 0.232274 0.043 Uiso 1 1 calc R U . . .
H9B_1 H 0.436026 0.438923 0.301292 0.043 Uiso 1 1 calc R U . . .
H9C_1 H 0.311762 0.450881 0.395996 0.043 Uiso 1 1 calc R U . . .
C10_1 C 0.3179(4) 0.35386(14) 0.1536(4) 0.0316(8) Uani 1 1 d . . . . .
H10A_1 H 0.261668 0.372150 0.085942 0.047 Uiso 1 1 calc R U . . .
H10B_1 H 0.287345 0.322122 0.146943 0.047 Uiso 1 1 calc R U . . .
H10C_1 H 0.416733 0.355872 0.135166 0.047 Uiso 1 1 calc R U . . .
C1_21 C 0.8505(17) 0.3040(3) 1.0467(17) 0.0299(18) Uani 0.53(4) 1 d G U P A 1
H1_21 H 0.837291 0.272111 1.054416 0.036 Uiso 0.53(4) 1 calc R U P A 1
C2_21 C 0.9434(16) 0.3209(4) 0.9566(15) 0.0321(18) Uani 0.53(4) 1 d G U P A 1
H2_21 H 0.993810 0.300628 0.902751 0.039 Uiso 0.53(4) 1 calc R U P A 1
C3_21 C 0.9627(14) 0.3675(5) 0.9452(14) 0.0288(18) Uani 0.53(4) 1 d G U P A 1
H3_21 H 1.026273 0.379075 0.883627 0.035 Uiso 0.53(4) 1 calc R U P A 1
C4_21 C 0.8890(16) 0.3972(3) 1.0239(17) 0.0262(19) Uani 0.53(4) 1 d G U P A 1
H4_21 H 0.902217 0.429006 1.016166 0.031 Uiso 0.53(4) 1 calc R U P A 1
C5_21 C 0.7961(14) 0.3802(5) 1.1140(14) 0.026(2) Uani 0.53(4) 1 d G U P A 1
H5_21 H 0.745697 0.400490 1.167832 0.031 Uiso 0.53(4) 1 calc R U P A 1
C6_21 C 0.7768(13) 0.3336(6) 1.1254(13) 0.0281(19) Uani 0.53(4) 1 d G U P A 1
H6_21 H 0.713232 0.322043 1.186958 0.034 Uiso 0.53(4) 1 calc R U P A 1
C1_22 C 0.8600(19) 0.3015(3) 1.0322(19) 0.031(2) Uani 0.47(4) 1 d G U P A 2
H1_22 H 0.859436 0.269300 1.024291 0.037 Uiso 0.47(4) 1 calc R U P A 2
C2_22 C 0.9453(18) 0.3272(5) 0.9531(17) 0.032(2) Uani 0.47(4) 1 d G U P A 2
H2_22 H 1.002894 0.312715 0.891247 0.038 Uiso 0.47(4) 1 calc R U P A 2
C3_22 C 0.9461(18) 0.3743(5) 0.9647(18) 0.029(2) Uani 0.47(4) 1 d G U P A 2
H3_22 H 1.004385 0.391929 0.910665 0.034 Uiso 0.47(4) 1 calc R U P A 2
C4_22 C 0.862(2) 0.3956(3) 1.055(2) 0.029(2) Uani 0.47(4) 1 d G U P A 2
H4_22 H 0.862419 0.427728 1.063127 0.035 Uiso 0.47(4) 1 calc R U P A 2
C5_22 C 0.7766(16) 0.3698(6) 1.1343(15) 0.029(2) Uani 0.47(4) 1 d G U P A 2
H5_22 H 0.718961 0.384314 1.196170 0.034 Uiso 0.47(4) 1 calc R U P A 2
C6_22 C 0.7757(16) 0.3227(6) 1.1227(15) 0.0255(18) Uani 0.47(4) 1 d G U P A 2
H6_22 H 0.717468 0.305100 1.176754 0.031 Uiso 0.47(4) 1 calc R U P A 2


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_1 P1_1 2.2576(9) . ?
Pt1_1 P4_1 2.2683(9) . ?
Pt1_1 Cl1_1 2.4195(9) . ?
Pt1_1 Pt2_1 2.66556(18) . ?
Pt2_1 P3_1 2.2847(8) . ?
Pt2_1 P2_1 2.2897(8) . ?
Pt2_1 Si1_1 2.2933(9) . ?
Si1_1 Cl4_1 2.0948(12) . ?
Si1_1 Cl3_1 2.1002(13) . ?
Si1_1 Cl2_1 2.1190(12) . ?
P1_1 C1_1 1.814(4) . ?
P1_1 C2_1 1.819(4) . ?
P1_1 C3_1 1.821(3) . ?
P2_1 C4_1 1.811(4) . ?
P2_1 C5_1 1.821(4) . ?
P2_1 C3_1 1.839(3) . ?
P3_1 C6_1 1.812(4) . ?
P3_1 C7_1 1.819(4) . ?
P3_1 C8_1 1.829(4) . ?
P4_1 C10_1 1.816(4) . ?
P4_1 C9_1 1.819(4) . ?
P4_1 C8_1 1.835(4) . ?
C1_1 H1A_1 0.9800 . ?
C1_1 H1B_1 0.9800 . ?
C1_1 H1C_1 0.9800 . ?
C2_1 H2A_1 0.9800 . ?
C2_1 H2B_1 0.9800 . ?
C2_1 H2C_1 0.9800 . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3B_1 0.9900 . ?
C4_1 H4A_1 0.9800 . ?
C4_1 H4B_1 0.9800 . ?
C4_1 H4C_1 0.9800 . ?
C5_1 H5A_1 0.9800 . ?
C5_1 H5B_1 0.9800 . ?
C5_1 H5C_1 0.9800 . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6B_1 0.9800 . ?
C6_1 H6C_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7B_1 0.9800 . ?
C7_1 H7C_1 0.9800 . ?
C8_1 H8A_1 0.9900 . ?
C8_1 H8B_1 0.9900 . ?
C9_1 H9A_1 0.9800 . ?
C9_1 H9B_1 0.9800 . ?
C9_1 H9C_1 0.9800 . ?
C10_1 H10A_1 0.9800 . ?
C10_1 H10B_1 0.9800 . ?
C10_1 H10C_1 0.9800 . ?
C1_21 C2_21 1.3900 . ?
C1_21 C6_21 1.3900 . ?
C1_21 H1_21 0.9500 . ?
C2_21 C3_21 1.3900 . ?
C2_21 H2_21 0.9500 . ?
C3_21 C4_21 1.3900 . ?
C3_21 H3_21 0.9500 . ?
C4_21 C5_21 1.3900 . ?
C4_21 H4_21 0.9500 . ?
C5_21 C6_21 1.3900 . ?
C5_21 H5_21 0.9500 . ?
C6_21 H6_21 0.9500 . ?
C1_22 C2_22 1.3900 . ?
C1_22 C6_22 1.3900 . ?
C1_22 H1_22 0.9500 . ?
C2_22 C3_22 1.3900 . ?
C2_22 H2_22 0.9500 . ?
C3_22 C4_22 1.3900 . ?
C3_22 H3_22 0.9500 . ?
C4_22 C5_22 1.3900 . ?
C4_22 H4_22 0.9500 . ?
C5_22 C6_22 1.3900 . ?
C5_22 H5_22 0.9500 . ?
C6_22 H6_22 0.9500 . ?

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
P1_1 Pt1_1 P4_1 168.61(3) . . ?
P1_1 Pt1_1 Cl1_1 96.01(3) . . ?
P4_1 Pt1_1 Cl1_1 95.19(3) . . ?
P1_1 Pt1_1 Pt2_1 85.65(2) . . ?
P4_1 Pt1_1 Pt2_1 83.02(2) . . ?
Cl1_1 Pt1_1 Pt2_1 175.39(2) . . ?
P3_1 Pt2_1 P2_1 163.65(3) . . ?
P3_1 Pt2_1 Si1_1 103.01(3) . . ?
P2_1 Pt2_1 Si1_1 93.18(3) . . ?
P3_1 Pt2_1 Pt1_1 81.58(2) . . ?
P2_1 Pt2_1 Pt1_1 82.13(2) . . ?
Si1_1 Pt2_1 Pt1_1 166.09(2) . . ?
Cl4_1 Si1_1 Cl3_1 98.95(5) . . ?
Cl4_1 Si1_1 Cl2_1 98.92(5) . . ?
Cl3_1 Si1_1 Cl2_1 101.40(5) . . ?
Cl4_1 Si1_1 Pt2_1 124.48(5) . . ?
Cl3_1 Si1_1 Pt2_1 120.34(5) . . ?
Cl2_1 Si1_1 Pt2_1 108.70(5) . . ?
C1_1 P1_1 C2_1 104.28(19) . . ?
C1_1 P1_1 C3_1 103.01(18) . . ?
C2_1 P1_1 C3_1 104.17(17) . . ?
C1_1 P1_1 Pt1_1 117.27(13) . . ?
C2_1 P1_1 Pt1_1 118.73(14) . . ?
C3_1 P1_1 Pt1_1 107.56(12) . . ?
C4_1 P2_1 C5_1 102.21(18) . . ?
C4_1 P2_1 C3_1 105.40(17) . . ?
C5_1 P2_1 C3_1 101.26(17) . . ?
C4_1 P2_1 Pt2_1 110.66(13) . . ?
C5_1 P2_1 Pt2_1 123.93(13) . . ?
C3_1 P2_1 Pt2_1 111.56(11) . . ?
C6_1 P3_1 C7_1 100.73(18) . . ?
C6_1 P3_1 C8_1 103.05(18) . . ?
C7_1 P3_1 C8_1 105.06(18) . . ?
C6_1 P3_1 Pt2_1 123.88(13) . . ?
C7_1 P3_1 Pt2_1 113.30(13) . . ?
C8_1 P3_1 Pt2_1 108.95(12) . . ?
C10_1 P4_1 C9_1 103.15(18) . . ?
C10_1 P4_1 C8_1 104.90(18) . . ?
C9_1 P4_1 C8_1 103.75(17) . . ?
C10_1 P4_1 Pt1_1 118.76(13) . . ?
C9_1 P4_1 Pt1_1 115.45(12) . . ?
C8_1 P4_1 Pt1_1 109.35(12) . . ?
P1_1 C1_1 H1A_1 109.5 . . ?
P1_1 C1_1 H1B_1 109.5 . . ?
H1A_1 C1_1 H1B_1 109.5 . . ?
P1_1 C1_1 H1C_1 109.5 . . ?
H1A_1 C1_1 H1C_1 109.5 . . ?
H1B_1 C1_1 H1C_1 109.5 . . ?
P1_1 C2_1 H2A_1 109.5 . . ?
P1_1 C2_1 H2B_1 109.5 . . ?
H2A_1 C2_1 H2B_1 109.5 . . ?
P1_1 C2_1 H2C_1 109.5 . . ?
H2A_1 C2_1 H2C_1 109.5 . . ?
H2B_1 C2_1 H2C_1 109.5 . . ?
P1_1 C3_1 P2_1 108.69(18) . . ?
P1_1 C3_1 H3A_1 110.0 . . ?
P2_1 C3_1 H3A_1 110.0 . . ?
P1_1 C3_1 H3B_1 110.0 . . ?
P2_1 C3_1 H3B_1 110.0 . . ?
H3A_1 C3_1 H3B_1 108.3 . . ?
P2_1 C4_1 H4A_1 109.5 . . ?
P2_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 109.5 . . ?
P2_1 C4_1 H4C_1 109.5 . . ?
H4A_1 C4_1 H4C_1 109.5 . . ?
H4B_1 C4_1 H4C_1 109.5 . . ?
P2_1 C5_1 H5A_1 109.5 . . ?
P2_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 109.5 . . ?
P2_1 C5_1 H5C_1 109.5 . . ?
H5A_1 C5_1 H5C_1 109.5 . . ?
H5B_1 C5_1 H5C_1 109.5 . . ?
P3_1 C6_1 H6A_1 109.5 . . ?
P3_1 C6_1 H6B_1 109.5 . . ?
H6A_1 C6_1 H6B_1 109.5 . . ?
P3_1 C6_1 H6C_1 109.5 . . ?
H6A_1 C6_1 H6C_1 109.5 . . ?
H6B_1 C6_1 H6C_1 109.5 . . ?
P3_1 C7_1 H7A_1 109.5 . . ?
P3_1 C7_1 H7B_1 109.5 . . ?
H7A_1 C7_1 H7B_1 109.5 . . ?
P3_1 C7_1 H7C_1 109.5 . . ?
H7A_1 C7_1 H7C_1 109.5 . . ?
H7B_1 C7_1 H7C_1 109.5 . . ?
P3_1 C8_1 P4_1 107.06(18) . . ?
P3_1 C8_1 H8A_1 110.3 . . ?
P4_1 C8_1 H8A_1 110.3 . . ?
P3_1 C8_1 H8B_1 110.3 . . ?
P4_1 C8_1 H8B_1 110.3 . . ?
H8A_1 C8_1 H8B_1 108.6 . . ?
P4_1 C9_1 H9A_1 109.5 . . ?
P4_1 C9_1 H9B_1 109.5 . . ?
H9A_1 C9_1 H9B_1 109.5 . . ?
P4_1 C9_1 H9C_1 109.5 . . ?
H9A_1 C9_1 H9C_1 109.5 . . ?
H9B_1 C9_1 H9C_1 109.5 . . ?
P4_1 C10_1 H10A_1 109.5 . . ?
P4_1 C10_1 H10B_1 109.5 . . ?
H10A_1 C10_1 H10B_1 109.5 . . ?
P4_1 C10_1 H10C_1 109.5 . . ?
H10A_1 C10_1 H10C_1 109.5 . . ?
H10B_1 C10_1 H10C_1 109.5 . . ?
C2_21 C1_21 C6_21 120.0 . . ?
C2_21 C1_21 H1_21 120.0 . . ?
C6_21 C1_21 H1_21 120.0 . . ?
C1_21 C2_21 C3_21 120.0 . . ?
C1_21 C2_21 H2_21 120.0 . . ?
C3_21 C2_21 H2_21 120.0 . . ?
C4_21 C3_21 C2_21 120.0 . . ?
C4_21 C3_21 H3_21 120.0 . . ?
C2_21 C3_21 H3_21 120.0 . . ?
C3_21 C4_21 C5_21 120.0 . . ?
C3_21 C4_21 H4_21 120.0 . . ?
C5_21 C4_21 H4_21 120.0 . . ?
C6_21 C5_21 C4_21 120.0 . . ?
C6_21 C5_21 H5_21 120.0 . . ?
C4_21 C5_21 H5_21 120.0 . . ?
C5_21 C6_21 C1_21 120.0 . . ?
C5_21 C6_21 H6_21 120.0 . . ?
C1_21 C6_21 H6_21 120.0 . . ?
C2_22 C1_22 C6_22 120.0 . . ?
C2_22 C1_22 H1_22 120.0 . . ?
C6_22 C1_22 H1_22 120.0 . . ?
C3_22 C2_22 C1_22 120.0 . . ?
C3_22 C2_22 H2_22 120.0 . . ?
C1_22 C2_22 H2_22 120.0 . . ?
C2_22 C3_22 C4_22 120.0 . . ?
C2_22 C3_22 H3_22 120.0 . . ?
C4_22 C3_22 H3_22 120.0 . . ?
C5_22 C4_22 C3_22 120.0 . . ?
C5_22 C4_22 H4_22 120.0 . . ?
C3_22 C4_22 H4_22 120.0 . . ?
C6_22 C5_22 C4_22 120.0 . . ?
C6_22 C5_22 H5_22 120.0 . . ?
C4_22 C5_22 H5_22 120.0 . . ?
C5_22 C6_22 C1_22 120.0 . . ?
C5_22 C6_22 H6_22 120.0 . . ?
C1_22 C6_22 H6_22 120.0 . . ?

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
C1_1 P1_1 C3_1 P2_1 -95.3(2) . . . . ?
C2_1 P1_1 C3_1 P2_1 156.1(2) . . . . ?
Pt1_1 P1_1 C3_1 P2_1 29.2(2) . . . . ?
C4_1 P2_1 C3_1 P1_1 -99.5(2) . . . . ?
C5_1 P2_1 C3_1 P1_1 154.3(2) . . . . ?
Pt2_1 P2_1 C3_1 P1_1 20.7(2) . . . . ?
C6_1 P3_1 C8_1 P4_1 162.18(19) . . . . ?
C7_1 P3_1 C8_1 P4_1 -92.7(2) . . . . ?
Pt2_1 P3_1 C8_1 P4_1 29.0(2) . . . . ?
C10_1 P4_1 C8_1 P3_1 152.16(19) . . . . ?
C9_1 P4_1 C8_1 P3_1 -99.9(2) . . . . ?
Pt1_1 P4_1 C8_1 P3_1 23.8(2) . . . . ?
C6_21 C1_21 C2_21 C3_21 0.0 . . . . ?
C1_21 C2_21 C3_21 C4_21 0.0 . . . . ?
C2_21 C3_21 C4_21 C5_21 0.0 . . . . ?
C3_21 C4_21 C5_21 C6_21 0.0 . . . . ?
C4_21 C5_21 C6_21 C1_21 0.0 . . . . ?
C2_21 C1_21 C6_21 C5_21 0.0 . . . . ?
C6_22 C1_22 C2_22 C3_22 0.0 . . . . ?
C1_22 C2_22 C3_22 C4_22 0.0 . . . . ?
C2_22 C3_22 C4_22 C5_22 0.0 . . . . ?
C3_22 C4_22 C5_22 C6_22 0.0 . . . . ?
C4_22 C5_22 C6_22 C1_22 0.0 . . . . ?
C2_22 C1_22 C6_22 C5_22 0.0 . . . . ?


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene/pentane'
_chemical_properties_physical    
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive,decompose in vacuum'
