# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_qz04
_database_code_depnum_ccdc_archive 'CCDC 1898997'
loop_
_audit_author_name
_audit_author_address
'Frank Hampel'
;Department of Chemistry and Pharmacy University of Erlangen
Germany
;
_audit_update_record             
;
2019-02-22 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-02-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C106 H102 P4 Pt2 Si2'
_chemical_formula_sum            'C106 H102 P4 Pt2 Si2'
_chemical_formula_weight         1946.11
_chemical_melting_point          ?
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'
Pt Pt -1.7033 8.3905 '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'

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

_cell_length_a                   11.607(8)
_cell_length_b                   14.949(6)
_cell_length_c                   15.867(11)
_cell_angle_alpha                93.57(4)
_cell_angle_beta                 108.77(5)
_cell_angle_gamma                96.43(5)
_cell_volume                     2576(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    15
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.0
_shelx_estimated_absorpt_T_max   0.764
_shelx_estimated_absorpt_T_min   0.483
_exptl_absorpt_coefficient_mu    2.839
_exptl_absorpt_correction_T_max  0.7644
_exptl_absorpt_correction_T_min  0.4830
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             982
_exptl_crystal_recrystallization_method 'crystallized feom DCM/Acetone'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_unetI/netI     0.1496
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10788
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.352
_diffrn_reflns_theta_min         3.654
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6086
_reflns_number_total             10398
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Nonius EXPRESS'
_computing_data_collection       'Nonius EXPRESS'
_computing_data_reduction        'Nonius MoleN'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         2.080
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         10398
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1358
_refine_ls_R_factor_gt           0.0743
_refine_ls_restrained_S_all      0.977
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0950P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1566
_refine_ls_wR_factor_ref         0.1858
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C15) = Uanis(C16) = Uanis(C17)
3.a Me refined with riding coordinates:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C24A(H24A,H24B,
 H24C), C34A(H34A,H34B,H34C), C44A(H44A,H44B,H44C), C54A(H54A,H54B,H54C),
 C64A(H64A,H64B,H64C), C74A(H74A,H74B,H74C)
3.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C23(H23), C25(H25), C26(H26), C32(H32), C33(H33), C35(H35),
 C36(H36), C42(H42), C43(H43), C45(H45), C46(H46), C52(H52), C53(H53), C55(H55),
  C56(H56), C62(H62), C63(H63), C65(H65), C66(H66), C72(H72), C73(H73),
 C75(H75), C76(H76)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.2313(11) 0.1251(8) -0.2111(9) 0.056(4) Uani 1 1 d . . . . .
P1 P 1.2233(2) 0.30619(17) -0.2971(2) 0.0304(7) Uani 1 1 d . . . . .
Pt1 Pt 1.09969(4) 0.17237(3) -0.30282(3) 0.03353(17) Uani 1 1 d . . . . .
Si1 Si 0.5092(4) 0.2904(4) -0.6164(4) 0.0879(17) Uani 1 1 d . . . . .
C2 C 1.3062(13) 0.0925(11) -0.1544(13) 0.102(7) Uani 1 1 d . . . . .
P2 P 0.9671(3) 0.04581(17) -0.3000(2) 0.0380(8) Uani 1 1 d . . . . .
C3 C 1.3903(14) 0.0553(14) -0.0915(18) 0.156(12) Uani 1 1 d . . . . .
C5 C 1.4623(15) 0.0184(19) -0.036(2) 0.24(2) Uani 1 1 d . . . . .
C11 C 0.9622(9) 0.2184(6) -0.3901(7) 0.029(3) Uani 1 1 d . . . . .
C12 C 0.8697(10) 0.2446(6) -0.4383(8) 0.039(3) Uani 1 1 d . . . . .
C13 C 0.7586(11) 0.2624(7) -0.4949(8) 0.044(3) Uani 1 1 d . . . . .
C14 C 0.6600(11) 0.2748(9) -0.5436(9) 0.054(4) Uani 1 1 d . . . . .
C15 C 0.4791(18) 0.4055(16) -0.5880(18) 0.157(6) Uani 1 1 d . . . . .
H15A H 0.3976 0.4147 -0.6271 0.235 Uiso 1 1 calc R . . . .
H15B H 0.4821 0.4124 -0.5255 0.235 Uiso 1 1 calc R . . . .
H15C H 0.5416 0.4505 -0.5964 0.235 Uiso 1 1 calc R . . . .
C16 C 0.3899(18) 0.2137(17) -0.5947(19) 0.157(6) Uani 1 1 d . . . . .
H16A H 0.3090 0.2230 -0.6346 0.235 Uiso 1 1 calc R . . . .
H16B H 0.4028 0.1509 -0.6055 0.235 Uiso 1 1 calc R . . . .
H16C H 0.3941 0.2262 -0.5323 0.235 Uiso 1 1 calc R . . . .
C17 C 0.4965(18) 0.2515(16) -0.7326(18) 0.157(6) Uani 1 1 d . . . . .
H17A H 0.4154 0.2593 -0.7734 0.235 Uiso 1 1 calc R . . . .
H17B H 0.5603 0.2873 -0.7493 0.235 Uiso 1 1 calc R . . . .
H17C H 0.5070 0.1875 -0.7367 0.235 Uiso 1 1 calc R . . . .
C21 C 1.2146(10) 0.3856(7) -0.2085(7) 0.035(3) Uani 1 1 d . . . . .
C22 C 1.1060(12) 0.3853(9) -0.1915(8) 0.051(3) Uani 1 1 d . . . . .
H22 H 1.0404 0.3378 -0.2190 0.061 Uiso 1 1 calc R . . . .
C23 C 1.0910(14) 0.4550(10) -0.1337(11) 0.070(4) Uani 1 1 d . . . . .
H23 H 1.0127 0.4562 -0.1271 0.084 Uiso 1 1 calc R . . . .
C24 C 1.1829(15) 0.5195(9) -0.0879(10) 0.061(4) Uani 1 1 d . . . . .
C24A C 1.166(2) 0.5953(14) -0.0235(15) 0.130(9) Uani 1 1 d . . . . .
H24A H 1.2443 0.6356 0.0034 0.195 Uiso 1 1 calc R . . . .
H24B H 1.1031 0.6300 -0.0569 0.195 Uiso 1 1 calc R . . . .
H24C H 1.1415 0.5682 0.0237 0.195 Uiso 1 1 calc R . . . .
C25 C 1.2964(14) 0.5178(8) -0.1006(9) 0.057(4) Uani 1 1 d . . . . .
H25 H 1.3641 0.5623 -0.0683 0.069 Uiso 1 1 calc R . . . .
C26 C 1.3107(12) 0.4515(8) -0.1604(8) 0.050(3) Uani 1 1 d . . . . .
H26 H 1.3884 0.4514 -0.1683 0.060 Uiso 1 1 calc R . . . .
C31 C 1.1818(9) 0.3660(6) -0.3982(8) 0.034(3) Uani 1 1 d . . . . .
C32 C 1.1828(11) 0.4584(6) -0.3930(8) 0.040(3) Uani 1 1 d . . . . .
H32 H 1.1953 0.4928 -0.3376 0.048 Uiso 1 1 calc R . . . .
C33 C 1.1648(13) 0.4994(8) -0.4713(10) 0.062(4) Uani 1 1 d . . . . .
H33 H 1.1669 0.5632 -0.4677 0.074 Uiso 1 1 calc R . . . .
C34 C 1.1442(11) 0.4541(8) -0.5535(8) 0.043(3) Uani 1 1 d . . . . .
C34A C 1.1287(14) 0.5031(9) -0.6361(9) 0.064(4) Uani 1 1 d . . . . .
H34A H 1.1148 0.4590 -0.6880 0.095 Uiso 1 1 calc R . . . .
H34B H 1.0581 0.5363 -0.6464 0.095 Uiso 1 1 calc R . . . .
H34C H 1.2031 0.5456 -0.6276 0.095 Uiso 1 1 calc R . . . .
C35 C 1.1390(10) 0.3606(7) -0.5579(8) 0.043(3) Uani 1 1 d . . . . .
H35 H 1.1242 0.3265 -0.6138 0.051 Uiso 1 1 calc R . . . .
C36 C 1.1553(11) 0.3167(7) -0.4812(7) 0.042(3) Uani 1 1 d . . . . .
H36 H 1.1482 0.2525 -0.4854 0.050 Uiso 1 1 calc R . . . .
C41 C 1.3873(9) 0.3016(6) -0.2772(8) 0.032(3) Uani 1 1 d . . . . .
C42 C 1.4574(10) 0.2764(7) -0.1951(8) 0.039(3) Uani 1 1 d . . . . .
H42 H 1.4214 0.2623 -0.1508 0.047 Uiso 1 1 calc R . . . .
C43 C 1.5826(10) 0.2725(8) -0.1799(10) 0.051(4) Uani 1 1 d . . . . .
H43 H 1.6314 0.2545 -0.1248 0.061 Uiso 1 1 calc R . . . .
C44 C 1.6367(10) 0.2940(7) -0.2430(9) 0.041(3) Uani 1 1 d . . . . .
C44A C 1.7710(12) 0.2890(9) -0.2272(10) 0.059(4) Uani 1 1 d . . . . .
H44A H 1.7918 0.3067 -0.2795 0.089 Uiso 1 1 calc R . . . .
H44B H 1.8209 0.3300 -0.1743 0.089 Uiso 1 1 calc R . . . .
H44C H 1.7874 0.2269 -0.2175 0.089 Uiso 1 1 calc R . . . .
C45 C 1.5644(11) 0.3157(9) -0.3253(9) 0.052(3) Uani 1 1 d . . . . .
H45 H 1.5993 0.3266 -0.3708 0.063 Uiso 1 1 calc R . . . .
C46 C 1.4414(10) 0.3213(8) -0.3408(8) 0.046(3) Uani 1 1 d . . . . .
H46 H 1.3932 0.3390 -0.3963 0.056 Uiso 1 1 calc R . . . .
C51 C 0.9060(10) 0.0661(7) -0.2079(8) 0.044(3) Uani 1 1 d . . . . .
C52 C 0.7894(10) 0.0314(9) -0.2090(8) 0.048(3) Uani 1 1 d . . . . .
H52 H 0.7370 -0.0071 -0.2600 0.058 Uiso 1 1 calc R . . . .
C53 C 0.7466(13) 0.0504(10) -0.1396(10) 0.063(4) Uani 1 1 d . . . . .
H53 H 0.6642 0.0278 -0.1457 0.075 Uiso 1 1 calc R . . . .
C54 C 0.8222(14) 0.1030(11) -0.0588(10) 0.073(5) Uani 1 1 d . . . . .
C54A C 0.7736(17) 0.1253(14) 0.0153(10) 0.103(7) Uani 1 1 d . . . . .
H54A H 0.6894 0.0944 0.0002 0.154 Uiso 1 1 calc R . . . .
H54B H 0.8256 0.1052 0.0708 0.154 Uiso 1 1 calc R . . . .
H54C H 0.7740 0.1908 0.0236 0.154 Uiso 1 1 calc R . . . .
C55 C 0.9387(13) 0.1348(11) -0.0603(11) 0.077(5) Uani 1 1 d . . . . .
H55 H 0.9936 0.1704 -0.0082 0.092 Uiso 1 1 calc R . . . .
C56 C 0.9824(12) 0.1191(10) -0.1317(10) 0.060(4) Uani 1 1 d . . . . .
H56 H 1.0629 0.1443 -0.1279 0.072 Uiso 1 1 calc R . . . .
C61 C 1.0330(11) -0.0589(7) -0.2811(9) 0.045(3) Uani 1 1 d . . . . .
C62 C 0.9798(12) -0.1254(8) -0.2413(9) 0.051(4) Uani 1 1 d . . . . .
H62 H 0.9156 -0.1147 -0.2187 0.062 Uiso 1 1 calc R . . . .
C63 C 1.0262(14) -0.2092(7) -0.2364(9) 0.060(4) Uani 1 1 d . . . . .
H63 H 0.9932 -0.2550 -0.2083 0.072 Uiso 1 1 calc R . . . .
C64 C 1.1169(12) -0.2272(7) -0.2706(9) 0.055(4) Uani 1 1 d . . . . .
C64A C 1.1648(15) -0.3159(8) -0.2658(12) 0.083(5) Uani 1 1 d . . . . .
H64A H 1.2288 -0.3146 -0.2939 0.124 Uiso 1 1 calc R . . . .
H64B H 1.1997 -0.3270 -0.2030 0.124 Uiso 1 1 calc R . . . .
H64C H 1.0976 -0.3643 -0.2973 0.124 Uiso 1 1 calc R . . . .
C65 C 1.1675(11) -0.1599(8) -0.3097(10) 0.058(4) Uani 1 1 d . . . . .
H65 H 1.2322 -0.1705 -0.3318 0.070 Uiso 1 1 calc R . . . .
C66 C 1.1240(11) -0.0779(7) -0.3164(9) 0.052(4) Uani 1 1 d . . . . .
H66 H 1.1567 -0.0333 -0.3458 0.063 Uiso 1 1 calc R . . . .
C71 C 0.8379(9) 0.0144(6) -0.4014(8) 0.039(3) Uani 1 1 d . . . . .
C72 C 0.8421(10) -0.0526(7) -0.4657(8) 0.039(3) Uani 1 1 d . . . . .
H72 H 0.9104 -0.0851 -0.4535 0.046 Uiso 1 1 calc R . . . .
C73 C 0.7474(11) -0.0718(7) -0.5470(9) 0.050(3) Uani 1 1 d . . . . .
H73 H 0.7517 -0.1176 -0.5898 0.060 Uiso 1 1 calc R . . . .
C74 C 0.6460(11) -0.0251(7) -0.5668(8) 0.045(3) Uani 1 1 d . . . . .
C74A C 0.5492(12) -0.0444(9) -0.6568(10) 0.066(4) Uani 1 1 d . . . . .
H74A H 0.5684 -0.0938 -0.6913 0.098 Uiso 1 1 calc R . . . .
H74B H 0.4693 -0.0620 -0.6497 0.098 Uiso 1 1 calc R . . . .
H74C H 0.5465 0.0100 -0.6885 0.098 Uiso 1 1 calc R . . . .
C75 C 0.6440(9) 0.0408(7) -0.5035(9) 0.043(3) Uani 1 1 d . . . . .
H75 H 0.5765 0.0743 -0.5162 0.051 Uiso 1 1 calc R . . . .
C76 C 0.7376(10) 0.0605(7) -0.4210(8) 0.039(3) Uani 1 1 d . . . . .
H76 H 0.7322 0.1057 -0.3782 0.047 Uiso 1 1 calc R . . . .


_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
C1 Pt1 1.972(11) . ?
C1 C2 1.204(16) . ?
P1 Pt1 2.306(3) . ?
P1 C21 1.818(12) . ?
P1 C31 1.838(11) . ?
P1 C41 1.836(11) . ?
Pt1 Pt1 12.833(9) 2_855 ?
Pt1 P2 2.314(3) . ?
Pt1 C11 1.970(10) . ?
Si1 C14 1.809(12) . ?
Si1 C15 1.85(2) . ?
Si1 C16 1.83(2) . ?
Si1 C17 1.85(3) . ?
C2 C3 1.350(18) . ?
P2 C51 1.842(14) . ?
P2 C61 1.818(11) . ?
P2 C71 1.803(11) . ?
C3 C5 1.208(19) . ?
C5 C5 1.39(3) 2_855 ?
C11 C12 1.223(13) . ?
C12 C13 1.379(14) . ?
C13 C14 1.199(15) . ?
C21 C22 1.370(17) . ?
C21 C26 1.382(14) . ?
C22 C23 1.408(19) . ?
C23 C24 1.334(19) . ?
C24 C24A 1.55(2) . ?
C24 C25 1.398(19) . ?
C25 C26 1.390(17) . ?
C31 C32 1.377(13) . ?
C31 C36 1.393(15) . ?
C32 C33 1.386(16) . ?
C33 C34 1.366(17) . ?
C34 C34A 1.512(15) . ?
C34 C35 1.388(15) . ?
C35 C36 1.389(15) . ?
C41 C42 1.395(14) . ?
C41 C46 1.380(16) . ?
C42 C43 1.404(16) . ?
C43 C44 1.377(18) . ?
C44 C44A 1.508(16) . ?
C44 C45 1.386(16) . ?
C45 C46 1.382(16) . ?
C51 C52 1.388(16) . ?
C51 C56 1.381(17) . ?
C52 C53 1.373(18) . ?
C53 C54 1.42(2) . ?
C54 C54A 1.49(2) . ?
C54 C55 1.39(2) . ?
C55 C56 1.40(2) . ?
C61 C62 1.399(16) . ?
C61 C66 1.393(17) . ?
C62 C63 1.415(16) . ?
C63 C64 1.374(19) . ?
C64 C64A 1.491(16) . ?
C64 C65 1.386(18) . ?
C65 C66 1.375(15) . ?
C71 C72 1.399(16) . ?
C71 C76 1.379(14) . ?
C72 C73 1.388(15) . ?
C73 C74 1.394(16) . ?
C74 C74A 1.492(16) . ?
C74 C75 1.371(17) . ?
C75 C76 1.395(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
C2 C1 Pt1 176.0(12) . . ?
C21 P1 Pt1 108.9(4) . . ?
C21 P1 C31 105.0(5) . . ?
C21 P1 C41 106.5(5) . . ?
C31 P1 Pt1 116.1(3) . . ?
C41 P1 Pt1 117.7(3) . . ?
C41 P1 C31 101.5(5) . . ?
C1 Pt1 P1 92.7(3) . . ?
C1 Pt1 Pt1 3.8(3) . 2_855 ?
C1 Pt1 P2 88.4(3) . . ?
P1 Pt1 Pt1 96.28(8) . 2_855 ?
P1 Pt1 P2 174.41(13) . . ?
P2 Pt1 Pt1 84.74(9) . 2_855 ?
C11 Pt1 C1 176.7(6) . . ?
C11 Pt1 P1 89.2(3) . . ?
C11 Pt1 Pt1 173.2(3) . 2_855 ?
C11 Pt1 P2 89.4(3) . . ?
C14 Si1 C15 108.8(8) . . ?
C14 Si1 C16 110.5(8) . . ?
C14 Si1 C17 108.0(8) . . ?
C15 Si1 C17 120.6(11) . . ?
C16 Si1 C15 105.0(11) . . ?
C16 Si1 C17 103.6(12) . . ?
C1 C2 C3 179(3) . . ?
C51 P2 Pt1 109.0(4) . . ?
C61 P2 Pt1 116.4(4) . . ?
C61 P2 C51 105.3(6) . . ?
C71 P2 Pt1 115.0(3) . . ?
C71 P2 C51 107.6(5) . . ?
C71 P2 C61 102.8(5) . . ?
C5 C3 C2 177(2) . . ?
C3 C5 C5 171(6) . 2_855 ?
C12 C11 Pt1 173.0(10) . . ?
C11 C12 C13 172.4(11) . . ?
C14 C13 C12 177.5(13) . . ?
C13 C14 Si1 178.3(12) . . ?
C22 C21 P1 119.5(8) . . ?
C22 C21 C26 117.2(12) . . ?
C26 C21 P1 123.1(10) . . ?
C21 C22 C23 120.5(12) . . ?
C24 C23 C22 122.3(15) . . ?
C23 C24 C24A 122.1(16) . . ?
C23 C24 C25 117.8(14) . . ?
C25 C24 C24A 120.1(14) . . ?
C26 C25 C24 120.3(12) . . ?
C21 C26 C25 121.6(13) . . ?
C32 C31 P1 121.5(9) . . ?
C32 C31 C36 119.7(10) . . ?
C36 C31 P1 118.7(7) . . ?
C31 C32 C33 117.7(11) . . ?
C34 C33 C32 124.4(10) . . ?
C33 C34 C34A 121.9(11) . . ?
C33 C34 C35 117.1(10) . . ?
C35 C34 C34A 121.0(12) . . ?
C34 C35 C36 120.4(11) . . ?
C35 C36 C31 120.5(10) . . ?
C42 C41 P1 118.1(9) . . ?
C46 C41 P1 122.0(8) . . ?
C46 C41 C42 119.9(10) . . ?
C41 C42 C43 118.1(12) . . ?
C44 C43 C42 121.7(11) . . ?
C43 C44 C44A 121.7(11) . . ?
C43 C44 C45 119.2(11) . . ?
C45 C44 C44A 119.0(12) . . ?
C46 C45 C44 119.8(13) . . ?
C41 C46 C45 121.1(11) . . ?
C52 C51 P2 124.9(10) . . ?
C56 C51 P2 117.5(10) . . ?
C56 C51 C52 117.7(13) . . ?
C53 C52 C51 122.8(12) . . ?
C52 C53 C54 121.9(13) . . ?
C53 C54 C54A 121.4(14) . . ?
C55 C54 C53 113.1(15) . . ?
C55 C54 C54A 125.4(15) . . ?
C54 C55 C56 125.8(14) . . ?
C51 C56 C55 118.7(12) . . ?
C62 C61 P2 119.1(10) . . ?
C66 C61 P2 120.4(8) . . ?
C66 C61 C62 120.0(11) . . ?
C61 C62 C63 117.0(13) . . ?
C64 C63 C62 122.7(12) . . ?
C63 C64 C64A 122.5(12) . . ?
C63 C64 C65 118.8(11) . . ?
C65 C64 C64A 118.6(14) . . ?
C66 C65 C64 120.1(13) . . ?
C65 C66 C61 121.3(11) . . ?
C72 C71 P2 120.3(8) . . ?
C76 C71 P2 121.1(9) . . ?
C76 C71 C72 118.4(10) . . ?
C73 C72 C71 120.6(10) . . ?
C72 C73 C74 121.0(12) . . ?
C73 C74 C74A 119.4(12) . . ?
C75 C74 C73 117.6(11) . . ?
C75 C74 C74A 122.9(11) . . ?
C74 C75 C76 122.2(10) . . ?
C71 C76 C75 120.2(12) . . ?

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
P1 C21 C22 C23 -169.7(10) . . . . ?
P1 C21 C26 C25 172.2(9) . . . . ?
P1 C31 C32 C33 172.4(10) . . . . ?
P1 C31 C36 C35 -171.7(9) . . . . ?
P1 C41 C42 C43 179.7(8) . . . . ?
P1 C41 C46 C45 -178.6(9) . . . . ?
Pt1 P1 C21 C22 -34.9(10) . . . . ?
Pt1 P1 C21 C26 149.7(8) . . . . ?
Pt1 P1 C31 C32 136.9(9) . . . . ?
Pt1 P1 C31 C36 -46.5(10) . . . . ?
Pt1 P1 C41 C42 -64.6(9) . . . . ?
Pt1 P1 C41 C46 114.7(9) . . . . ?
Pt1 P2 C51 C52 147.4(9) . . . . ?
Pt1 P2 C51 C56 -33.3(10) . . . . ?
Pt1 P2 C61 C62 152.9(9) . . . . ?
Pt1 P2 C61 C66 -35.8(11) . . . . ?
Pt1 P2 C71 C72 96.7(8) . . . . ?
Pt1 P2 C71 C76 -77.8(10) . . . . ?
P2 C51 C52 C53 -178.2(10) . . . . ?
P2 C51 C56 C55 -179.3(11) . . . . ?
P2 C61 C62 C63 173.6(9) . . . . ?
P2 C61 C66 C65 -174.2(10) . . . . ?
P2 C71 C72 C73 -174.7(9) . . . . ?
P2 C71 C76 C75 173.9(8) . . . . ?
C21 P1 C31 C32 16.5(11) . . . . ?
C21 P1 C31 C36 -166.9(9) . . . . ?
C21 P1 C41 C42 57.9(9) . . . . ?
C21 P1 C41 C46 -122.8(9) . . . . ?
C21 C22 C23 C24 -5(2) . . . . ?
C22 C21 C26 C25 -3.3(17) . . . . ?
C22 C23 C24 C24A -179.2(16) . . . . ?
C22 C23 C24 C25 2(2) . . . . ?
C23 C24 C25 C26 1(2) . . . . ?
C24 C25 C26 C21 -0.2(19) . . . . ?
C24A C24 C25 C26 -178.1(15) . . . . ?
C26 C21 C22 C23 5.9(18) . . . . ?
C31 P1 C21 C22 90.1(10) . . . . ?
C31 P1 C21 C26 -85.2(10) . . . . ?
C31 P1 C41 C42 167.6(8) . . . . ?
C31 P1 C41 C46 -13.2(10) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C32 C31 C36 C35 5.0(18) . . . . ?
C32 C33 C34 C34A -178.3(13) . . . . ?
C32 C33 C34 C35 1(2) . . . . ?
C33 C34 C35 C36 -0.5(18) . . . . ?
C34 C35 C36 C31 -2.6(19) . . . . ?
C34A C34 C35 C36 179.0(12) . . . . ?
C36 C31 C32 C33 -4.2(18) . . . . ?
C41 P1 C21 C22 -162.8(9) . . . . ?
C41 P1 C21 C26 21.9(10) . . . . ?
C41 P1 C31 C32 -94.3(10) . . . . ?
C41 P1 C31 C36 82.4(10) . . . . ?
C41 C42 C43 C44 1.0(17) . . . . ?
C42 C41 C46 C45 0.6(17) . . . . ?
C42 C43 C44 C44A -179.4(11) . . . . ?
C42 C43 C44 C45 -3.3(18) . . . . ?
C43 C44 C45 C46 4.3(19) . . . . ?
C44 C45 C46 C41 -3.0(19) . . . . ?
C44A C44 C45 C46 -179.5(11) . . . . ?
C46 C41 C42 C43 0.4(16) . . . . ?
C51 P2 C61 C62 32.0(11) . . . . ?
C51 P2 C61 C66 -156.7(10) . . . . ?
C51 P2 C71 C72 -141.5(9) . . . . ?
C51 P2 C71 C76 43.9(10) . . . . ?
C51 C52 C53 C54 -4(2) . . . . ?
C52 C51 C56 C55 0.1(19) . . . . ?
C52 C53 C54 C54A 178.3(15) . . . . ?
C52 C53 C54 C55 3(2) . . . . ?
C53 C54 C55 C56 0(2) . . . . ?
C54 C55 C56 C51 -1(2) . . . . ?
C54A C54 C55 C56 -175.6(16) . . . . ?
C56 C51 C52 C53 2.5(18) . . . . ?
C61 P2 C51 C52 -87.1(10) . . . . ?
C61 P2 C51 C56 92.3(10) . . . . ?
C61 P2 C71 C72 -30.7(11) . . . . ?
C61 P2 C71 C76 154.8(9) . . . . ?
C61 C62 C63 C64 -2(2) . . . . ?
C62 C61 C66 C65 -3.0(19) . . . . ?
C62 C63 C64 C64A -179.6(13) . . . . ?
C62 C63 C64 C65 2(2) . . . . ?
C63 C64 C65 C66 -2(2) . . . . ?
C64 C65 C66 C61 3(2) . . . . ?
C64A C64 C65 C66 179.0(13) . . . . ?
C66 C61 C62 C63 2.3(18) . . . . ?
C71 P2 C51 C52 22.0(11) . . . . ?
C71 P2 C51 C56 -158.6(9) . . . . ?
C71 P2 C61 C62 -80.6(11) . . . . ?
C71 P2 C61 C66 90.7(11) . . . . ?
C71 C72 C73 C74 0.1(19) . . . . ?
C72 C71 C76 C75 -0.7(16) . . . . ?
C72 C73 C74 C74A 176.8(12) . . . . ?
C72 C73 C74 C75 0.5(18) . . . . ?
C73 C74 C75 C76 -1.3(18) . . . . ?
C74 C75 C76 C71 1.4(17) . . . . ?
C74A C74 C75 C76 -177.4(11) . . . . ?
C76 C71 C72 C73 0.0(17) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.329 0.316 0.101 234.9 25.4 ?
2 -0.329 0.684 0.899 234.9 34.9 ?


_olex2_exptl_crystal_mounting_method 'mounted on a glasfibre'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_qz09
_database_code_depnum_ccdc_archive 'CCDC 1898998'
loop_
_audit_author_name
_audit_author_address
'Frank Hampel'
;Department of Chemistry and Pharmacy University of Erlangen
Germany
;
_audit_update_record             
;
2019-02-22 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-02-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C51 H52 O P2 Pt S'
_chemical_formula_sum            'C51 H52 O P2 Pt S'
_chemical_formula_weight         970.01
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.9509(2)
_cell_length_b                   12.22430(10)
_cell_length_c                   17.8210(3)
_cell_angle_alpha                70.7936(9)
_cell_angle_beta                 84.6362(8)
_cell_angle_gamma                75.8053(10)
_cell_volume                     2183.86(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9464
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      1.0
_cell_measurement_theta_min      27.48
_shelx_estimated_absorpt_T_max   0.632
_shelx_estimated_absorpt_T_min   0.552
_exptl_absorpt_coefficient_mu    3.370
_exptl_absorpt_correction_T_max  0.6318
_exptl_absorpt_correction_T_min  0.5521
_exptl_absorpt_correction_type   'empirical (Scalepack)'
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             980
_exptl_crystal_recrystallization_method 'crystallized from DCM/MeOH'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18891
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.512
_diffrn_reflns_theta_min         1.918
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9174
_reflns_number_total             10006
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.927
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         10006
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0237
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0325P)²+0.9705P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0612
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Me refined with riding coordinates:
 C3(H3A,H3B,H3C), C17(H17A,H17B,H17C), C27(H27A,H27B,H27C), C37(H37A,H37B,
 H37C), C47(H47A,H47B,H47C), C57(H57A,H57B,H57C), C67(H67A,H67B,H67C), C77(H77A,
 H77B,H77C)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12A), C13(H13A), C15(H15A), C16(H16A), C22(H22A), C23(H23A), C25(H25A),
 C26(H26A), C32(H32A), C33(H33A), C35(H35A), C36(H36A), C42(H42A), C43(H43A),
 C45(H45A), C46(H46A), C52(H52A), C53(H53A), C55(H55A), C56(H56A), C62(H62A),
 C63(H63A), C65(H65A), C66(H66A), C72(H72A), C73(H73A), C75(H75A), C76(H76A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.04532(2) 0.49200(2) -0.24916(2) 0.01922(4) Uani 1 1 d . . . . .
P1 P -0.03388(6) 0.66600(6) -0.22815(4) 0.02006(13) Uani 1 1 d . . . . .
S1 S -0.26903(6) 0.53564(6) -0.25380(4) 0.02708(14) Uani 1 1 d . . . . .
P2 P -0.03521(6) 0.32142(5) -0.28017(4) 0.01929(13) Uani 1 1 d . . . . .
O2 O -0.2646(2) 0.7432(2) -0.36136(13) 0.0453(6) Uani 1 1 d . . . . .
C2 C -0.3277(3) 0.6797(3) -0.31649(16) 0.0288(6) Uani 1 1 d . . . . .
C3 C -0.4686(3) 0.7224(3) -0.3094(2) 0.0435(8) Uani 1 1 d . . . . .
H3A H -0.5031 0.6593 -0.2705 0.065 Uiso 1 1 calc R . . . .
H3B H -0.4872 0.7929 -0.2918 0.065 Uiso 1 1 calc R . . . .
H3C H -0.5070 0.7428 -0.3612 0.065 Uiso 1 1 calc R . . . .
C4 C 0.2557(3) 0.6117(2) -0.03566(16) 0.0275(6) Uani 1 1 d . . . . .
C11 C 0.1438(2) 0.4332(2) -0.22775(15) 0.0217(5) Uani 1 1 d . . . . .
C12 C 0.2387(3) 0.4533(2) -0.28521(16) 0.0280(6) Uani 1 1 d . . . . .
H12 H 0.2161 0.5004 -0.3383 0.034 Uiso 1 1 calc R . . . .
C13 C 0.3658(3) 0.4061(3) -0.26674(17) 0.0309(6) Uani 1 1 d . . . . .
H13 H 0.4279 0.4225 -0.3072 0.037 Uiso 1 1 calc R . . . .
C14 C 0.4033(3) 0.3352(3) -0.18994(18) 0.0293(6) Uani 1 1 d . . . . .
C15 C 0.3093(3) 0.3159(2) -0.13225(17) 0.0294(6) Uani 1 1 d . . . . .
H15 H 0.3319 0.2688 -0.0792 0.035 Uiso 1 1 calc R . . . .
C16 C 0.1824(3) 0.3643(2) -0.15090(15) 0.0253(5) Uani 1 1 d . . . . .
H16 H 0.1206 0.3500 -0.1100 0.030 Uiso 1 1 calc R . . . .
C17 C 0.5406(3) 0.2819(3) -0.1709(2) 0.0407(7) Uani 1 1 d . . . . .
H17A H 0.5918 0.3057 -0.2191 0.061 Uiso 1 1 calc R . . . .
H17B H 0.5645 0.3103 -0.1302 0.061 Uiso 1 1 calc R . . . .
H17C H 0.5550 0.1949 -0.1510 0.061 Uiso 1 1 calc R . . . .
C21 C -0.1783(3) 0.7534(2) -0.19760(15) 0.0237(5) Uani 1 1 d . . . . .
C22 C -0.2492(3) 0.6947(2) -0.13439(16) 0.0267(6) Uani 1 1 d . . . . .
H22 H -0.2236 0.6108 -0.1110 0.032 Uiso 1 1 calc R . . . .
C23 C -0.3554(3) 0.7563(3) -0.10560(17) 0.0314(6) Uani 1 1 d . . . . .
H23 H -0.4004 0.7147 -0.0617 0.038 Uiso 1 1 calc R . . . .
C24 C -0.3981(3) 0.8795(3) -0.14005(18) 0.0343(6) Uani 1 1 d . . . . .
C25 C -0.3301(3) 0.9367(3) -0.20367(18) 0.0346(6) Uani 1 1 d . . . . .
H25 H -0.3580 1.0201 -0.2283 0.042 Uiso 1 1 calc R . . . .
C26 C -0.2215(3) 0.8754(2) -0.23283(16) 0.0287(6) Uani 1 1 d . . . . .
H26 H -0.1769 0.9172 -0.2769 0.034 Uiso 1 1 calc R . . . .
C27 C -0.5147(4) 0.9452(3) -0.1072(2) 0.0555(10) Uani 1 1 d . . . . .
H27A H -0.5488 0.8887 -0.0625 0.083 Uiso 1 1 calc R . . . .
H27B H -0.4929 1.0054 -0.0891 0.083 Uiso 1 1 calc R . . . .
H27C H -0.5781 0.9840 -0.1489 0.083 Uiso 1 1 calc R . . . .
C31 C 0.0268(2) 0.7635(2) -0.31670(15) 0.0229(5) Uani 1 1 d . . . . .
C32 C 0.0317(2) 0.7411(2) -0.38865(15) 0.0240(5) Uani 1 1 d . . . . .
H32 H -0.0017 0.6782 -0.3920 0.029 Uiso 1 1 calc R . . . .
C33 C 0.0853(3) 0.8102(2) -0.45572(15) 0.0253(5) Uani 1 1 d . . . . .
H33 H 0.0882 0.7934 -0.5043 0.030 Uiso 1 1 calc R . . . .
C34 C 0.1348(2) 0.9033(2) -0.45313(16) 0.0263(6) Uani 1 1 d . . . . .
C35 C 0.1275(3) 0.9271(2) -0.38107(17) 0.0300(6) Uani 1 1 d . . . . .
H35 H 0.1590 0.9914 -0.3781 0.036 Uiso 1 1 calc R . . . .
C36 C 0.0747(3) 0.8580(2) -0.31387(17) 0.0288(6) Uani 1 1 d . . . . .
H36 H 0.0711 0.8751 -0.2653 0.035 Uiso 1 1 calc R . . . .
C37 C 0.1961(3) 0.9751(3) -0.52531(18) 0.0342(7) Uani 1 1 d . . . . .
H37A H 0.2251 1.0364 -0.5123 0.051 Uiso 1 1 calc R . . . .
H37B H 0.2681 0.9227 -0.5423 0.051 Uiso 1 1 calc R . . . .
H37C H 0.1350 1.0131 -0.5683 0.051 Uiso 1 1 calc R . . . .
C41 C 0.0789(2) 0.6474(2) -0.15196(15) 0.0224(5) Uani 1 1 d . . . . .
C42 C 0.2063(3) 0.6399(3) -0.17134(16) 0.0298(6) Uani 1 1 d . . . . .
H42 H 0.2340 0.6469 -0.2245 0.036 Uiso 1 1 calc R . . . .
C43 C 0.2933(3) 0.6225(3) -0.11427(17) 0.0308(6) Uani 1 1 d . . . . .
H43 H 0.3796 0.6178 -0.1289 0.037 Uiso 1 1 calc R . . . .
C45 C 0.1295(3) 0.6164(2) -0.01614(16) 0.0276(6) Uani 1 1 d . . . . .
H45 H 0.1023 0.6071 0.0374 0.033 Uiso 1 1 calc R . . . .
C46 C 0.0418(3) 0.6343(2) -0.07289(15) 0.0252(5) Uani 1 1 d . . . . .
H46 H -0.0442 0.6377 -0.0579 0.030 Uiso 1 1 calc R . . . .
C47 C 0.3508(3) 0.5945(3) 0.02578(18) 0.0353(7) Uani 1 1 d . . . . .
H47A H 0.4344 0.5936 0.0007 0.053 Uiso 1 1 calc R . . . .
H47B H 0.3272 0.6600 0.0484 0.053 Uiso 1 1 calc R . . . .
H47C H 0.3526 0.5189 0.0681 0.053 Uiso 1 1 calc R . . . .
C51 C 0.1096(3) 0.2593(2) -0.32658(16) 0.0236(5) Uani 1 1 d . . . . .
C52 C 0.1190(3) 0.2782(2) -0.40826(16) 0.0272(6) Uani 1 1 d . . . . .
H52 H 0.0502 0.3271 -0.4413 0.033 Uiso 1 1 calc R . . . .
C53 C 0.2275(3) 0.2266(3) -0.44181(17) 0.0322(6) Uani 1 1 d . . . . .
H53 H 0.2326 0.2421 -0.4977 0.039 Uiso 1 1 calc R . . . .
C54 C 0.3287(3) 0.1526(3) -0.39532(19) 0.0332(6) Uani 1 1 d . . . . .
C55 C 0.3210(3) 0.1364(3) -0.3139(2) 0.0374(7) Uani 1 1 d . . . . .
H55 H 0.3906 0.0881 -0.2813 0.045 Uiso 1 1 calc R . . . .
C56 C 0.2135(3) 0.1895(3) -0.27970(18) 0.0336(6) Uani 1 1 d . . . . .
H56 H 0.2107 0.1782 -0.2243 0.040 Uiso 1 1 calc R . . . .
C57 C 0.4416(3) 0.0875(3) -0.4306(2) 0.0468(8) Uani 1 1 d . . . . .
H57A H 0.5030 0.0399 -0.3889 0.070 Uiso 1 1 calc R . . . .
H57B H 0.4153 0.0350 -0.4541 0.070 Uiso 1 1 calc R . . . .
H57C H 0.4801 0.1451 -0.4718 0.070 Uiso 1 1 calc R . . . .
C61 C -0.0587(3) 0.1968(2) -0.19429(15) 0.0229(5) Uani 1 1 d . . . . .
C62 C -0.0177(3) 0.0787(2) -0.19230(17) 0.0344(7) Uani 1 1 d . . . . .
H62 H 0.0317 0.0598 -0.2350 0.041 Uiso 1 1 calc R . . . .
C63 C -0.0489(3) -0.0115(3) -0.12798(18) 0.0363(7) Uani 1 1 d . . . . .
H63 H -0.0193 -0.0918 -0.1271 0.044 Uiso 1 1 calc R . . . .
C64 C -0.1217(3) 0.0124(2) -0.06551(16) 0.0293(6) Uani 1 1 d . . . . .
C65 C -0.1601(3) 0.1298(3) -0.06676(17) 0.0328(6) Uani 1 1 d . . . . .
H65 H -0.2081 0.1480 -0.0234 0.039 Uiso 1 1 calc R . . . .
C66 C -0.1295(3) 0.2211(2) -0.13036(16) 0.0273(6) Uani 1 1 d . . . . .
H66 H -0.1571 0.3010 -0.1302 0.033 Uiso 1 1 calc R . . . .
C67 C -0.1589(3) -0.0866(3) 0.00240(19) 0.0426(8) Uani 1 1 d . . . . .
H67A H -0.2103 -0.0531 0.0411 0.064 Uiso 1 1 calc R . . . .
H67B H -0.2077 -0.1278 -0.0180 0.064 Uiso 1 1 calc R . . . .
H67C H -0.0830 -0.1431 0.0282 0.064 Uiso 1 1 calc R . . . .
C71 C -0.1556(2) 0.3377(2) -0.34939(15) 0.0223(5) Uani 1 1 d . . . . .
C72 C -0.2271(3) 0.2536(2) -0.33832(16) 0.0278(6) Uani 1 1 d . . . . .
H72 H -0.2156 0.1858 -0.2920 0.033 Uiso 1 1 calc R . . . .
C73 C -0.3142(3) 0.2679(3) -0.39378(17) 0.0323(6) Uani 1 1 d . . . . .
H73 H -0.3640 0.2109 -0.3841 0.039 Uiso 1 1 calc R . . . .
C74 C -0.3311(3) 0.3645(3) -0.46391(17) 0.0296(6) Uani 1 1 d . . . . .
C75 C -0.2615(3) 0.4498(3) -0.47412(17) 0.0315(6) Uani 1 1 d . . . . .
H75 H -0.2724 0.5170 -0.5208 0.038 Uiso 1 1 calc R . . . .
C76 C -0.1771(3) 0.4384(2) -0.41749(16) 0.0276(6) Uani 1 1 d . . . . .
H76 H -0.1331 0.4992 -0.4247 0.033 Uiso 1 1 calc R . . . .
C77 C -0.4172(3) 0.3725(3) -0.5279(2) 0.0429(8) Uani 1 1 d . . . . .
H77A H -0.4578 0.3050 -0.5100 0.064 Uiso 1 1 calc R . . . .
H77B H -0.4818 0.4470 -0.5387 0.064 Uiso 1 1 calc R . . . .
H77C H -0.3680 0.3708 -0.5765 0.064 Uiso 1 1 calc R . . . .


_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 P1 2.3117(6) . ?
Pt1 S1 2.3793(7) . ?
Pt1 P2 2.3020(6) . ?
Pt1 C11 2.046(3) . ?
P1 C21 1.825(3) . ?
P1 C31 1.818(2) . ?
P1 C41 1.842(3) . ?
S1 C2 1.745(3) . ?
P2 C51 1.831(3) . ?
P2 C61 1.821(3) . ?
P2 C71 1.820(3) . ?
O2 C2 1.213(4) . ?
C2 C3 1.511(4) . ?
C4 C43 1.395(4) . ?
C4 C45 1.385(4) . ?
C4 C47 1.511(4) . ?
C11 C12 1.397(4) . ?
C11 C16 1.392(4) . ?
C12 C13 1.394(4) . ?
C13 C14 1.394(4) . ?
C14 C15 1.391(4) . ?
C14 C17 1.507(4) . ?
C15 C16 1.394(4) . ?
C21 C22 1.402(4) . ?
C21 C26 1.392(4) . ?
C22 C23 1.377(4) . ?
C23 C24 1.400(4) . ?
C24 C25 1.380(4) . ?
C24 C27 1.511(4) . ?
C25 C26 1.396(4) . ?
C31 C32 1.390(4) . ?
C31 C36 1.397(4) . ?
C32 C33 1.391(4) . ?
C33 C34 1.390(4) . ?
C34 C35 1.399(4) . ?
C34 C37 1.504(4) . ?
C35 C36 1.388(4) . ?
C41 C42 1.393(4) . ?
C41 C46 1.398(4) . ?
C42 C43 1.388(4) . ?
C45 C46 1.387(4) . ?
C51 C52 1.395(4) . ?
C51 C56 1.398(4) . ?
C52 C53 1.383(4) . ?
C53 C54 1.386(4) . ?
C54 C55 1.395(5) . ?
C54 C57 1.502(4) . ?
C55 C56 1.389(4) . ?
C61 C62 1.392(4) . ?
C61 C66 1.390(4) . ?
C62 C63 1.388(4) . ?
C63 C64 1.376(4) . ?
C64 C65 1.387(4) . ?
C64 C67 1.511(4) . ?
C65 C66 1.387(4) . ?
C71 C72 1.393(4) . ?
C71 C76 1.404(4) . ?
C72 C73 1.378(4) . ?
C73 C74 1.398(4) . ?
C74 C75 1.392(4) . ?
C74 C77 1.510(4) . ?
C75 C76 1.383(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 S1 95.67(2) . . ?
P2 Pt1 P1 172.92(2) . . ?
P2 Pt1 S1 89.85(2) . . ?
C11 Pt1 P1 87.75(7) . . ?
C11 Pt1 S1 170.50(7) . . ?
C11 Pt1 P2 87.50(7) . . ?
C21 P1 Pt1 117.51(9) . . ?
C21 P1 C41 102.85(12) . . ?
C31 P1 Pt1 110.29(9) . . ?
C31 P1 C21 107.52(12) . . ?
C31 P1 C41 102.35(12) . . ?
C41 P1 Pt1 114.96(8) . . ?
C2 S1 Pt1 110.89(10) . . ?
C51 P2 Pt1 118.30(8) . . ?
C61 P2 Pt1 113.18(9) . . ?
C61 P2 C51 103.57(12) . . ?
C71 P2 Pt1 113.44(9) . . ?
C71 P2 C51 102.57(12) . . ?
C71 P2 C61 104.20(12) . . ?
O2 C2 S1 125.2(2) . . ?
O2 C2 C3 121.2(3) . . ?
C3 C2 S1 113.6(2) . . ?
C43 C4 C47 120.5(3) . . ?
C45 C4 C43 117.9(3) . . ?
C45 C4 C47 121.6(3) . . ?
C12 C11 Pt1 124.99(19) . . ?
C16 C11 Pt1 118.36(19) . . ?
C16 C11 C12 116.6(2) . . ?
C13 C12 C11 121.7(2) . . ?
C14 C13 C12 121.1(3) . . ?
C13 C14 C17 120.8(3) . . ?
C15 C14 C13 117.4(3) . . ?
C15 C14 C17 121.7(3) . . ?
C14 C15 C16 121.2(3) . . ?
C11 C16 C15 121.9(2) . . ?
C22 C21 P1 118.3(2) . . ?
C26 C21 P1 123.8(2) . . ?
C26 C21 C22 117.9(2) . . ?
C23 C22 C21 121.2(3) . . ?
C22 C23 C24 121.0(3) . . ?
C23 C24 C27 120.0(3) . . ?
C25 C24 C23 117.7(3) . . ?
C25 C24 C27 122.2(3) . . ?
C24 C25 C26 121.8(3) . . ?
C21 C26 C25 120.3(3) . . ?
C32 C31 P1 119.79(19) . . ?
C32 C31 C36 118.5(2) . . ?
C36 C31 P1 121.6(2) . . ?
C31 C32 C33 120.4(2) . . ?
C34 C33 C32 121.4(3) . . ?
C33 C34 C35 118.1(2) . . ?
C33 C34 C37 121.0(3) . . ?
C35 C34 C37 120.9(3) . . ?
C36 C35 C34 120.7(2) . . ?
C35 C36 C31 120.9(3) . . ?
C42 C41 P1 120.2(2) . . ?
C42 C41 C46 117.9(2) . . ?
C46 C41 P1 121.8(2) . . ?
C43 C42 C41 121.1(3) . . ?
C42 C43 C4 120.9(3) . . ?
C4 C45 C46 121.5(2) . . ?
C45 C46 C41 120.6(2) . . ?
C52 C51 P2 121.6(2) . . ?
C52 C51 C56 118.4(3) . . ?
C56 C51 P2 120.0(2) . . ?
C53 C52 C51 120.8(3) . . ?
C52 C53 C54 121.2(3) . . ?
C53 C54 C55 118.1(3) . . ?
C53 C54 C57 121.2(3) . . ?
C55 C54 C57 120.6(3) . . ?
C56 C55 C54 121.2(3) . . ?
C55 C56 C51 120.2(3) . . ?
C62 C61 P2 123.0(2) . . ?
C66 C61 P2 118.3(2) . . ?
C66 C61 C62 118.5(2) . . ?
C63 C62 C61 120.1(3) . . ?
C64 C63 C62 121.6(3) . . ?
C63 C64 C65 118.2(2) . . ?
C63 C64 C67 120.9(3) . . ?
C65 C64 C67 121.0(3) . . ?
C64 C65 C66 121.0(3) . . ?
C65 C66 C61 120.6(3) . . ?
C72 C71 P2 122.8(2) . . ?
C72 C71 C76 118.1(2) . . ?
C76 C71 P2 119.0(2) . . ?
C73 C72 C71 120.7(2) . . ?
C72 C73 C74 121.5(3) . . ?
C73 C74 C77 120.9(3) . . ?
C75 C74 C73 117.7(3) . . ?
C75 C74 C77 121.3(3) . . ?
C76 C75 C74 121.2(3) . . ?
C75 C76 C71 120.7(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
Pt1 P1 C21 C22 49.3(2) . . . . ?
Pt1 P1 C21 C26 -131.5(2) . . . . ?
Pt1 P1 C31 C32 14.4(2) . . . . ?
Pt1 P1 C31 C36 -162.5(2) . . . . ?
Pt1 P1 C41 C42 82.8(2) . . . . ?
Pt1 P1 C41 C46 -93.9(2) . . . . ?
Pt1 S1 C2 O2 10.7(3) . . . . ?
Pt1 S1 C2 C3 -168.1(2) . . . . ?
Pt1 P2 C51 C52 -100.2(2) . . . . ?
Pt1 P2 C51 C56 80.9(2) . . . . ?
Pt1 P2 C61 C62 -158.6(2) . . . . ?
Pt1 P2 C61 C66 26.7(2) . . . . ?
Pt1 P2 C71 C72 -134.1(2) . . . . ?
Pt1 P2 C71 C76 46.5(2) . . . . ?
Pt1 C11 C12 C13 -177.3(2) . . . . ?
Pt1 C11 C16 C15 176.7(2) . . . . ?
P1 C21 C22 C23 176.5(2) . . . . ?
P1 C21 C26 C25 -177.2(2) . . . . ?
P1 C31 C32 C33 -175.8(2) . . . . ?
P1 C31 C36 C35 176.1(2) . . . . ?
P1 C41 C42 C43 -178.1(2) . . . . ?
P1 C41 C46 C45 177.8(2) . . . . ?
P2 C51 C52 C53 -177.3(2) . . . . ?
P2 C51 C56 C55 176.2(2) . . . . ?
P2 C61 C62 C63 -173.9(2) . . . . ?
P2 C61 C66 C65 173.9(2) . . . . ?
P2 C71 C72 C73 -177.8(2) . . . . ?
P2 C71 C76 C75 175.6(2) . . . . ?
C4 C45 C46 C41 0.5(4) . . . . ?
C11 C12 C13 C14 0.8(4) . . . . ?
C12 C11 C16 C15 -1.2(4) . . . . ?
C12 C13 C14 C15 -1.4(4) . . . . ?
C12 C13 C14 C17 178.4(3) . . . . ?
C13 C14 C15 C16 0.8(4) . . . . ?
C14 C15 C16 C11 0.6(4) . . . . ?
C16 C11 C12 C13 0.5(4) . . . . ?
C17 C14 C15 C16 -179.1(3) . . . . ?
C21 P1 C31 C32 -114.9(2) . . . . ?
C21 P1 C31 C36 68.2(3) . . . . ?
C21 P1 C41 C42 -148.2(2) . . . . ?
C21 P1 C41 C46 35.0(2) . . . . ?
C21 C22 C23 C24 1.9(4) . . . . ?
C22 C21 C26 C25 2.0(4) . . . . ?
C22 C23 C24 C25 -0.1(5) . . . . ?
C22 C23 C24 C27 -179.8(3) . . . . ?
C23 C24 C25 C26 -0.7(5) . . . . ?
C24 C25 C26 C21 -0.3(5) . . . . ?
C26 C21 C22 C23 -2.8(4) . . . . ?
C27 C24 C25 C26 179.1(3) . . . . ?
C31 P1 C21 C22 174.3(2) . . . . ?
C31 P1 C21 C26 -6.5(3) . . . . ?
C31 P1 C41 C42 -36.8(2) . . . . ?
C31 P1 C41 C46 146.5(2) . . . . ?
C31 C32 C33 C34 -0.3(4) . . . . ?
C32 C31 C36 C35 -0.8(4) . . . . ?
C32 C33 C34 C35 -1.0(4) . . . . ?
C32 C33 C34 C37 178.1(3) . . . . ?
C33 C34 C35 C36 1.3(4) . . . . ?
C34 C35 C36 C31 -0.5(4) . . . . ?
C36 C31 C32 C33 1.1(4) . . . . ?
C37 C34 C35 C36 -177.8(3) . . . . ?
C41 P1 C21 C22 -78.1(2) . . . . ?
C41 P1 C21 C26 101.1(2) . . . . ?
C41 P1 C31 C32 137.2(2) . . . . ?
C41 P1 C31 C36 -39.7(3) . . . . ?
C41 C42 C43 C4 0.1(4) . . . . ?
C42 C41 C46 C45 1.0(4) . . . . ?
C43 C4 C45 C46 -1.7(4) . . . . ?
C45 C4 C43 C42 1.4(4) . . . . ?
C46 C41 C42 C43 -1.3(4) . . . . ?
C47 C4 C43 C42 -179.1(3) . . . . ?
C47 C4 C45 C46 178.8(3) . . . . ?
C51 P2 C61 C62 -29.2(3) . . . . ?
C51 P2 C61 C66 156.1(2) . . . . ?
C51 P2 C71 C72 97.1(2) . . . . ?
C51 P2 C71 C76 -82.2(2) . . . . ?
C51 C52 C53 C54 1.5(4) . . . . ?
C52 C51 C56 C55 -2.8(4) . . . . ?
C52 C53 C54 C55 -3.3(4) . . . . ?
C52 C53 C54 C57 174.3(3) . . . . ?
C53 C54 C55 C56 2.1(4) . . . . ?
C54 C55 C56 C51 0.9(5) . . . . ?
C56 C51 C52 C53 1.6(4) . . . . ?
C57 C54 C55 C56 -175.5(3) . . . . ?
C61 P2 C51 C52 133.7(2) . . . . ?
C61 P2 C51 C56 -45.3(2) . . . . ?
C61 P2 C71 C72 -10.6(3) . . . . ?
C61 P2 C71 C76 170.0(2) . . . . ?
C61 C62 C63 C64 0.9(5) . . . . ?
C62 C61 C66 C65 -1.0(4) . . . . ?
C62 C63 C64 C65 -2.3(5) . . . . ?
C62 C63 C64 C67 177.6(3) . . . . ?
C63 C64 C65 C66 2.0(4) . . . . ?
C64 C65 C66 C61 -0.4(4) . . . . ?
C66 C61 C62 C63 0.8(5) . . . . ?
C67 C64 C65 C66 -177.8(3) . . . . ?
C71 P2 C51 C52 25.5(2) . . . . ?
C71 P2 C51 C56 -153.5(2) . . . . ?
C71 P2 C61 C62 77.7(3) . . . . ?
C71 P2 C61 C66 -97.0(2) . . . . ?
C71 C72 C73 C74 2.1(5) . . . . ?
C72 C71 C76 C75 -3.8(4) . . . . ?
C72 C73 C74 C75 -3.4(4) . . . . ?
C72 C73 C74 C77 173.8(3) . . . . ?
C73 C74 C75 C76 1.1(4) . . . . ?
C74 C75 C76 C71 2.5(4) . . . . ?
C76 C71 C72 C73 1.5(4) . . . . ?
C77 C74 C75 C76 -176.1(3) . . . . ?

_olex2_date_sample_data_collection 2004-05-19
_olex2_date_sample_submission    2004-05-18
_olex2_exptl_crystal_mounting_method 'mounted on a glasfibre'
_olex2_submission_original_sample_id QZP394
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_qz02
_database_code_depnum_ccdc_archive 'CCDC 1899327'
loop_
_audit_author_name
_audit_author_address
'Frank Hampel'
;Department of Chemistry and Pharmacy University of Erlangen
Germany
;
_audit_update_record             
;
2019-02-22 deposited with the CCDC.	2019-04-01 downloaded from the CCDC.
;
_audit_creation_date             2019-02-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C92 H84 Cl2 P4 Pt2, 2(C3 H6 O)'
_chemical_formula_sum            'C98 H96 Cl2 O2 P4 Pt2'
_chemical_formula_weight         1890.70
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   11.20880(10)
_cell_length_b                   37.2486(3)
_cell_length_c                   11.55030(10)
_cell_angle_alpha                90
_cell_angle_beta                 113.2910(10)
_cell_angle_gamma                90
_cell_volume                     4429.41(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9740
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_shelx_estimated_absorpt_T_max   0.635
_shelx_estimated_absorpt_T_min   0.434
_exptl_absorpt_coefficient_mu    3.334
_exptl_absorpt_correction_T_max  0.6346
_exptl_absorpt_correction_T_min  0.4345
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1900
_exptl_crystal_recrystallization_method 'crystallized fom Toluene/DCM/Acetone'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0496
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18516
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.093
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7830
_reflns_number_total             10055
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.201
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         10055
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0509P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0915
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups
2. Others
 Sof(H10A)=Sof(H10B)=Sof(H10C)=Sof(H10G)=Sof(H10H)=Sof(H10I)=Sof(C11B)=
 Sof(O11B)=1-FVAR(1)
 Sof(H10D)=Sof(H10E)=Sof(H10F)=Sof(C10B)=Sof(O10B)=Sof(H10J)=Sof(H10K)=
 Sof(H10L)=FVAR(1)
3.a Riding coordinates:
 C10A(H10D,H10E,H10F), C10A(H10A,H10B,H10C), C10C(H10J,H10K,H10L), C10C(H10G,
 H10H,H10I)
3.b Me refined with riding coordinates:
 C27(H27a,H27b,H27c), C37(H37a,H37b,H37c), C57(H57a,H57b,H57c), C17(H17a,H17b,
 H17c), C67(H67a,H67b,H67c), C47(H47a,H47b,H47c)
3.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C15(H15), C16(H16), C22(H22), C23(H23), C25(H25),
 C26(H26), C32(H32), C33(H33), C35(H35), C36(H36), C42(H42), C43(H43), C45(H45),
  C46(H46), C52(H52), C53(H53), C55(H55), C56(H56), C66(H66), C62(H62),
 C63(H63), C65(H65)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.89099(2) 0.13269(2) 0.14312(2) 0.02143(6) Uani 1 1 d . . . . .
P1 P 0.87914(10) 0.13601(3) -0.06124(9) 0.0215(2) Uani 1 1 d . . . . .
Cl1 Cl 1.03252(10) 0.18167(3) 0.21895(10) 0.0375(3) Uani 1 1 d . . . . .
C1 C 0.7754(4) 0.09191(11) 0.0862(3) 0.0279(9) Uani 1 1 d . . . . .
P2 P 0.89207(10) 0.12839(3) 0.34405(9) 0.0234(2) Uani 1 1 d . . . . .
C2 C 0.7029(4) 0.06647(12) 0.0529(4) 0.0347(10) Uani 1 1 d . . . . .
C3 C 0.6205(4) 0.03778(12) 0.0272(4) 0.0409(11) Uani 1 1 d . . . . .
C4 C 0.5448(5) 0.01354(13) 0.0107(4) 0.0445(12) Uani 1 1 d . . . . .
C11 C 0.7225(4) 0.15254(10) -0.1729(3) 0.0237(8) Uani 1 1 d . . . . .
C12 C 0.7105(4) 0.16681(13) -0.2875(4) 0.0387(11) Uani 1 1 d . . . . .
H12 H 0.7847 0.1683 -0.3077 0.046 Uiso 1 1 calc R . . . .
C13 C 0.5905(4) 0.17899(13) -0.3740(4) 0.0403(11) Uani 1 1 d . . . . .
H13 H 0.5842 0.1888 -0.4521 0.048 Uiso 1 1 calc R . . . .
C14 C 0.4809(4) 0.17692(13) -0.3476(4) 0.0386(11) Uani 1 1 d . . . . .
C15 C 0.4944(4) 0.16238(15) -0.2341(4) 0.0482(13) Uani 1 1 d . . . . .
H15 H 0.4197 0.1603 -0.2149 0.058 Uiso 1 1 calc R . . . .
C16 C 0.6137(4) 0.15050(14) -0.1456(4) 0.0359(11) Uani 1 1 d . . . . .
H16 H 0.6198 0.1411 -0.0670 0.043 Uiso 1 1 calc R . . . .
C21 C 0.8993(4) 0.09209(11) -0.1205(4) 0.0257(9) Uani 1 1 d . . . . .
C22 C 1.0013(4) 0.07051(12) -0.0450(4) 0.0374(10) Uani 1 1 d . . . . .
H22 H 1.0564 0.0784 0.0371 0.045 Uiso 1 1 calc R . . . .
C23 C 1.0233(5) 0.03754(13) -0.0889(5) 0.0515(13) Uani 1 1 d . . . . .
H23 H 1.0952 0.0235 -0.0371 0.062 Uiso 1 1 calc R . . . .
C24 C 0.9429(5) 0.02470(14) -0.2060(5) 0.0520(13) Uani 1 1 d . . . . .
C25 C 0.8415(5) 0.04625(14) -0.2801(5) 0.0522(13) Uani 1 1 d . . . . .
H25 H 0.7857 0.0381 -0.3615 0.063 Uiso 1 1 calc R . . . .
C26 C 0.8190(4) 0.07943(12) -0.2388(4) 0.0379(11) Uani 1 1 d . . . . .
H26 H 0.7480 0.0937 -0.2917 0.045 Uiso 1 1 calc R . . . .
C27 C 0.9675(7) -0.01127(16) -0.2535(6) 0.093(2) Uani 1 1 d . . . . .
H27A H 1.0431 -0.0227 -0.1885 0.140 Uiso 1 1 calc R . . . .
H27B H 0.8911 -0.0267 -0.2730 0.140 Uiso 1 1 calc R . . . .
H27C H 0.9842 -0.0077 -0.3298 0.140 Uiso 1 1 calc R . . . .
C31 C 0.9947(3) 0.16468(11) -0.0919(3) 0.0233(8) Uani 1 1 d . . . . .
C32 C 0.9938(4) 0.20164(11) -0.0712(4) 0.0290(9) Uani 1 1 d . . . . .
H32 H 0.9362 0.2111 -0.0367 0.035 Uiso 1 1 calc R . . . .
C33 C 1.0748(4) 0.22470(12) -0.0998(4) 0.0314(10) Uani 1 1 d . . . . .
H33 H 1.0729 0.2497 -0.0842 0.038 Uiso 1 1 calc R . . . .
C34 C 1.1597(4) 0.21132(12) -0.1517(4) 0.0309(9) Uani 1 1 d . . . . .
C35 C 1.1606(4) 0.17470(12) -0.1712(4) 0.0303(9) Uani 1 1 d . . . . .
H35 H 1.2183 0.1652 -0.2055 0.036 Uiso 1 1 calc R . . . .
C36 C 1.0799(4) 0.15145(11) -0.1421(3) 0.0256(9) Uani 1 1 d . . . . .
H36 H 1.0829 0.1264 -0.1566 0.031 Uiso 1 1 calc R . . . .
C37 C 1.2457(4) 0.23644(13) -0.1884(5) 0.0488(13) Uani 1 1 d . . . . .
H37A H 1.2320 0.2612 -0.1676 0.073 Uiso 1 1 calc R . . . .
H37B H 1.3369 0.2298 -0.1420 0.073 Uiso 1 1 calc R . . . .
H37C H 1.2236 0.2345 -0.2791 0.073 Uiso 1 1 calc R . . . .
C41 C 0.7705(4) 0.09888(12) 0.3634(3) 0.0288(9) Uani 1 1 d . . . . .
C42 C 0.7770(5) 0.06224(12) 0.3443(4) 0.0399(11) Uani 1 1 d . . . . .
H42 H 0.8486 0.0527 0.3300 0.048 Uiso 1 1 calc R . . . .
C43 C 0.6809(6) 0.03956(14) 0.3459(5) 0.0551(15) Uani 1 1 d . . . . .
H43 H 0.6872 0.0146 0.3326 0.066 Uiso 1 1 calc R . . . .
C44 C 0.5747(5) 0.05246(16) 0.3666(5) 0.0555(15) Uani 1 1 d . . . . .
C45 C 0.5741(5) 0.08848(16) 0.3939(5) 0.0562(15) Uani 1 1 d . . . . .
H45 H 0.5060 0.0977 0.4147 0.067 Uiso 1 1 calc R . . . .
C46 C 0.6695(4) 0.11150(13) 0.3919(4) 0.0371(10) Uani 1 1 d . . . . .
H46 H 0.6657 0.1362 0.4102 0.045 Uiso 1 1 calc R . . . .
C51 C 0.8564(4) 0.17140(11) 0.3958(3) 0.0256(9) Uani 1 1 d . . . . .
C52 C 0.7492(4) 0.19025(12) 0.3117(4) 0.0361(10) Uani 1 1 d . . . . .
H52 H 0.7071 0.1821 0.2273 0.043 Uiso 1 1 calc R . . . .
C53 C 0.7036(4) 0.22052(12) 0.3495(4) 0.0389(11) Uani 1 1 d . . . . .
H53 H 0.6298 0.2327 0.2913 0.047 Uiso 1 1 calc R . . . .
C54 C 0.7643(4) 0.23333(11) 0.4716(4) 0.0356(10) Uani 1 1 d . . . . .
C55 C 0.8755(4) 0.21591(12) 0.5519(4) 0.0393(11) Uani 1 1 d . . . . .
H55 H 0.9217 0.2254 0.6340 0.047 Uiso 1 1 calc R . . . .
C56 C 0.9213(4) 0.18498(11) 0.5159(4) 0.0308(9) Uani 1 1 d . . . . .
H56 H 0.9967 0.1733 0.5735 0.037 Uiso 1 1 calc R . . . .
C57 C 0.7095(5) 0.26501(13) 0.5169(5) 0.0547(14) Uani 1 1 d . . . . .
H57A H 0.7651 0.2702 0.6051 0.082 Uiso 1 1 calc R . . . .
H57B H 0.7062 0.2861 0.4650 0.082 Uiso 1 1 calc R . . . .
H57C H 0.6216 0.2592 0.5101 0.082 Uiso 1 1 calc R . . . .
C61 C 1.0441(4) 0.11123(11) 0.4612(4) 0.0294(9) Uani 1 1 d . . . . .
C66 C 1.1544(4) 0.11003(14) 0.4363(4) 0.0453(12) Uani 1 1 d . . . . .
H66 H 1.1518 0.1186 0.3579 0.054 Uiso 1 1 calc R . . . .
C62 C 1.0507(4) 0.09721(13) 0.5750(4) 0.0408(11) Uani 1 1 d . . . . .
H62 H 0.9754 0.0972 0.5935 0.049 Uiso 1 1 calc R . . . .
C64 C 1.2764(5) 0.08244(13) 0.6384(4) 0.0473(12) Uani 1 1 d . . . . .
C63 C 1.1656(5) 0.08324(13) 0.6617(4) 0.0454(12) Uani 1 1 d . . . . .
H63 H 1.1679 0.0740 0.7392 0.054 Uiso 1 1 calc R . . . .
C65 C 1.2688(5) 0.09643(16) 0.5248(5) 0.0583(15) Uani 1 1 d . . . . .
H65 H 1.3446 0.0967 0.5071 0.070 Uiso 1 1 calc R . . . .
C17 C 0.3530(5) 0.19077(16) -0.4402(5) 0.0585(15) Uani 1 1 d . . . . .
H17A H 0.3638 0.2000 -0.5150 0.088 Uiso 1 1 calc R . . . .
H17B H 0.2893 0.1712 -0.4650 0.088 Uiso 1 1 calc R . . . .
H17C H 0.3226 0.2101 -0.4012 0.088 Uiso 1 1 calc R . . . .
C67 C 1.4015(5) 0.06778(16) 0.7336(5) 0.0696(18) Uani 1 1 d . . . . .
H67A H 1.4693 0.0695 0.7002 0.104 Uiso 1 1 calc R . . . .
H67B H 1.4275 0.0817 0.8117 0.104 Uiso 1 1 calc R . . . .
H67C H 1.3894 0.0426 0.7510 0.104 Uiso 1 1 calc R . . . .
C47 C 0.4628(6) 0.0278(2) 0.3556(7) 0.102(3) Uani 1 1 d . . . . .
H47A H 0.4817 0.0034 0.3359 0.153 Uiso 1 1 calc R . . . .
H47B H 0.4517 0.0276 0.4356 0.153 Uiso 1 1 calc R . . . .
H47C H 0.3829 0.0364 0.2882 0.153 Uiso 1 1 calc R . . . .
C10A C 1.3526(7) 0.1665(3) 0.1792(6) 0.110(3) Uani 1 1 d . . . . .
H10D H 1.2955 0.1797 0.1045 0.166 Uiso 0.425(7) 1 d R . P A 2
H10E H 1.4432 0.1728 0.1980 0.166 Uiso 0.425(7) 1 d R . P A 2
H10F H 1.3313 0.1728 0.2512 0.166 Uiso 0.425(7) 1 d R . P A 2
H10A H 1.2607 0.1596 0.1419 0.166 Uiso 0.575(7) 1 d R . P A 1
H10B H 1.3598 0.1925 0.1928 0.166 Uiso 0.575(7) 1 d R . P A 1
H10C H 1.3957 0.1541 0.2600 0.166 Uiso 0.575(7) 1 d R . P A 1
C10B C 1.3316(17) 0.1223(6) 0.1517(15) 0.090(7) Uani 0.425(7) 1 d . . P A 2
O10B O 1.2726(10) 0.1023(4) 0.1882(11) 0.101(5) Uani 0.425(7) 1 d . . P A 2
C10C C 1.3989(8) 0.1138(3) 0.0633(7) 0.132(4) Uani 1 1 d . . . . .
H10J H 1.3949 0.0879 0.0473 0.198 Uiso 0.425(7) 1 d R . P A 2
H10K H 1.4899 0.1214 0.1023 0.198 Uiso 0.425(7) 1 d R . P A 2
H10L H 1.3552 0.1266 -0.0165 0.198 Uiso 0.425(7) 1 d R . P A 2
H10G H 1.4850 0.1025 0.0964 0.198 Uiso 0.575(7) 1 d R . P A 1
H10H H 1.3581 0.1104 -0.0282 0.198 Uiso 0.575(7) 1 d R . P A 1
H10I H 1.3448 0.1027 0.1025 0.198 Uiso 0.575(7) 1 d R . P A 1
C11B C 1.4136(9) 0.1565(4) 0.0953(9) 0.077(4) Uani 0.575(7) 1 d . . P A 1
O11B O 1.4702(7) 0.1770(3) 0.0563(7) 0.099(4) Uani 0.575(7) 1 d . . P A 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 Pt1 12.7498(3) 3_655 ?
Pt1 P1 2.3144(10) . ?
Pt1 Cl1 2.3481(10) . ?
Pt1 C1 1.935(4) . ?
Pt1 P2 2.3216(10) . ?
P1 C11 1.826(4) . ?
P1 C21 1.822(4) . ?
P1 C31 1.819(4) . ?
C1 C2 1.208(5) . ?
P2 C41 1.832(4) . ?
P2 C51 1.809(4) . ?
P2 C61 1.822(4) . ?
C2 C3 1.367(6) . ?
C3 C4 1.201(6) . ?
C4 C4 1.375(9) 3_655 ?
C11 C12 1.384(5) . ?
C11 C16 1.377(5) . ?
C12 C13 1.397(6) . ?
C13 C14 1.379(6) . ?
C14 C15 1.371(6) . ?
C14 C17 1.501(6) . ?
C15 C16 1.395(6) . ?
C21 C22 1.387(6) . ?
C21 C26 1.388(5) . ?
C22 C23 1.387(6) . ?
C23 C24 1.381(7) . ?
C24 C25 1.378(7) . ?
C24 C27 1.513(7) . ?
C25 C26 1.384(6) . ?
C31 C32 1.398(5) . ?
C31 C36 1.389(5) . ?
C32 C33 1.381(5) . ?
C33 C34 1.402(6) . ?
C34 C35 1.383(6) . ?
C34 C37 1.519(5) . ?
C35 C36 1.386(5) . ?
C41 C42 1.389(6) . ?
C41 C46 1.381(6) . ?
C42 C43 1.375(6) . ?
C43 C44 1.389(8) . ?
C44 C45 1.379(8) . ?
C44 C47 1.519(7) . ?
C45 C46 1.378(6) . ?
C51 C52 1.399(5) . ?
C51 C56 1.383(5) . ?
C52 C53 1.378(6) . ?
C53 C54 1.385(6) . ?
C54 C55 1.386(6) . ?
C54 C57 1.517(6) . ?
C55 C56 1.390(6) . ?
C61 C66 1.376(5) . ?
C61 C62 1.388(6) . ?
C66 C65 1.382(6) . ?
C62 C63 1.383(6) . ?
C64 C63 1.371(6) . ?
C64 C65 1.382(7) . ?
C64 C67 1.502(6) . ?
C10A C10B 1.67(2) . ?
C10A C11B 1.439(14) . ?
C10B O10B 1.18(2) . ?
C10B C10C 1.52(2) . ?
C10C C11B 1.626(17) . ?
C11B O11B 1.190(13) . ?

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 Pt1 Pt1 91.18(2) . 3_655 ?
P1 Pt1 Cl1 95.56(3) . . ?
P1 Pt1 P2 177.11(3) . . ?
Cl1 Pt1 Pt1 173.18(2) . 3_655 ?
C1 Pt1 Pt1 5.12(11) . 3_655 ?
C1 Pt1 P1 86.27(11) . . ?
C1 Pt1 Cl1 178.13(11) . . ?
C1 Pt1 P2 91.34(11) . . ?
P2 Pt1 Pt1 86.39(3) . 3_655 ?
P2 Pt1 Cl1 86.85(4) . . ?
C11 P1 Pt1 112.93(12) . . ?
C21 P1 Pt1 111.69(13) . . ?
C21 P1 C11 105.38(18) . . ?
C31 P1 Pt1 118.17(12) . . ?
C31 P1 C11 102.96(17) . . ?
C31 P1 C21 104.50(17) . . ?
C2 C1 Pt1 178.7(4) . . ?
C41 P2 Pt1 116.96(13) . . ?
C51 P2 Pt1 110.77(13) . . ?
C51 P2 C41 102.65(18) . . ?
C51 P2 C61 109.21(18) . . ?
C61 P2 Pt1 113.61(13) . . ?
C61 P2 C41 102.77(19) . . ?
C1 C2 C3 174.1(5) . . ?
C4 C3 C2 175.3(5) . . ?
C3 C4 C4 178.3(7) . 3_655 ?
C12 C11 P1 120.5(3) . . ?
C16 C11 P1 120.7(3) . . ?
C16 C11 C12 118.7(4) . . ?
C11 C12 C13 120.7(4) . . ?
C14 C13 C12 120.9(4) . . ?
C13 C14 C17 120.4(4) . . ?
C15 C14 C13 117.5(4) . . ?
C15 C14 C17 122.1(4) . . ?
C14 C15 C16 122.5(4) . . ?
C11 C16 C15 119.6(4) . . ?
C22 C21 P1 118.6(3) . . ?
C22 C21 C26 118.3(4) . . ?
C26 C21 P1 123.1(3) . . ?
C23 C22 C21 120.3(4) . . ?
C24 C23 C22 121.6(5) . . ?
C23 C24 C27 121.3(5) . . ?
C25 C24 C23 117.7(5) . . ?
C25 C24 C27 121.0(5) . . ?
C24 C25 C26 121.7(5) . . ?
C25 C26 C21 120.4(4) . . ?
C32 C31 P1 119.4(3) . . ?
C36 C31 P1 122.2(3) . . ?
C36 C31 C32 118.3(3) . . ?
C33 C32 C31 121.4(4) . . ?
C32 C33 C34 120.2(4) . . ?
C33 C34 C37 120.9(4) . . ?
C35 C34 C33 118.1(4) . . ?
C35 C34 C37 121.0(4) . . ?
C34 C35 C36 121.9(4) . . ?
C35 C36 C31 120.1(4) . . ?
C42 C41 P2 118.9(3) . . ?
C46 C41 P2 123.0(3) . . ?
C46 C41 C42 118.1(4) . . ?
C43 C42 C41 120.8(5) . . ?
C42 C43 C44 121.3(5) . . ?
C43 C44 C47 120.8(6) . . ?
C45 C44 C43 117.3(5) . . ?
C45 C44 C47 121.9(6) . . ?
C46 C45 C44 121.8(5) . . ?
C45 C46 C41 120.5(5) . . ?
C52 C51 P2 117.2(3) . . ?
C56 C51 P2 124.0(3) . . ?
C56 C51 C52 118.6(4) . . ?
C53 C52 C51 121.0(4) . . ?
C52 C53 C54 120.6(4) . . ?
C53 C54 C55 118.1(4) . . ?
C53 C54 C57 121.1(4) . . ?
C55 C54 C57 120.9(4) . . ?
C54 C55 C56 121.9(4) . . ?
C51 C56 C55 119.6(4) . . ?
C66 C61 P2 120.6(3) . . ?
C66 C61 C62 118.0(4) . . ?
C62 C61 P2 121.3(3) . . ?
C61 C66 C65 120.3(4) . . ?
C63 C62 C61 120.9(4) . . ?
C63 C64 C65 117.2(4) . . ?
C63 C64 C67 121.3(5) . . ?
C65 C64 C67 121.4(5) . . ?
C64 C63 C62 121.5(4) . . ?
C64 C65 C66 122.1(5) . . ?
O10B C10B C10A 127.5(19) . . ?
O10B C10B C10C 127(2) . . ?
C10C C10B C10A 105.2(13) . . ?
C10A C11B C10C 111.9(9) . . ?
O11B C11B C10A 123.7(14) . . ?
O11B C11B C10C 124.3(12) . . ?

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
Pt1 P1 C11 C12 159.6(3) . . . . ?
Pt1 P1 C11 C16 -21.5(4) . . . . ?
Pt1 P1 C21 C22 -47.7(3) . . . . ?
Pt1 P1 C21 C26 133.6(3) . . . . ?
Pt1 P1 C31 C32 -62.7(3) . . . . ?
Pt1 P1 C31 C36 120.9(3) . . . . ?
Pt1 P2 C41 C42 65.0(4) . . . . ?
Pt1 P2 C41 C46 -112.6(3) . . . . ?
Pt1 P2 C51 C52 48.3(3) . . . . ?
Pt1 P2 C51 C56 -137.6(3) . . . . ?
Pt1 P2 C61 C66 15.2(4) . . . . ?
Pt1 P2 C61 C62 -161.2(3) . . . . ?
P1 C11 C12 C13 179.0(4) . . . . ?
P1 C11 C16 C15 -178.2(4) . . . . ?
P1 C21 C22 C23 -177.3(4) . . . . ?
P1 C21 C26 C25 178.0(4) . . . . ?
P1 C31 C32 C33 -176.4(3) . . . . ?
P1 C31 C36 C35 176.0(3) . . . . ?
P2 C41 C42 C43 -173.7(4) . . . . ?
P2 C41 C46 C45 174.0(4) . . . . ?
P2 C51 C52 C53 170.5(3) . . . . ?
P2 C51 C56 C55 -171.3(3) . . . . ?
P2 C61 C66 C65 -178.9(4) . . . . ?
P2 C61 C62 C63 178.0(4) . . . . ?
C11 P1 C21 C22 -170.7(3) . . . . ?
C11 P1 C21 C26 10.6(4) . . . . ?
C11 P1 C31 C32 62.6(3) . . . . ?
C11 P1 C31 C36 -113.8(3) . . . . ?
C11 C12 C13 C14 -0.3(7) . . . . ?
C12 C11 C16 C15 0.8(7) . . . . ?
C12 C13 C14 C15 -0.3(7) . . . . ?
C12 C13 C14 C17 178.8(5) . . . . ?
C13 C14 C15 C16 1.2(8) . . . . ?
C14 C15 C16 C11 -1.4(8) . . . . ?
C16 C11 C12 C13 0.1(7) . . . . ?
C21 P1 C11 C12 -78.2(4) . . . . ?
C21 P1 C11 C16 100.7(4) . . . . ?
C21 P1 C31 C32 172.5(3) . . . . ?
C21 P1 C31 C36 -3.9(4) . . . . ?
C21 C22 C23 C24 -2.1(8) . . . . ?
C22 C21 C26 C25 -0.6(6) . . . . ?
C22 C23 C24 C25 1.7(8) . . . . ?
C22 C23 C24 C27 179.9(5) . . . . ?
C23 C24 C25 C26 -0.9(8) . . . . ?
C24 C25 C26 C21 0.4(8) . . . . ?
C26 C21 C22 C23 1.5(6) . . . . ?
C27 C24 C25 C26 -179.0(5) . . . . ?
C31 P1 C11 C12 31.1(4) . . . . ?
C31 P1 C11 C16 -150.0(4) . . . . ?
C31 P1 C21 C22 81.2(3) . . . . ?
C31 P1 C21 C26 -97.5(4) . . . . ?
C31 C32 C33 C34 0.5(6) . . . . ?
C32 C31 C36 C35 -0.4(5) . . . . ?
C32 C33 C34 C35 -0.9(6) . . . . ?
C32 C33 C34 C37 177.6(4) . . . . ?
C33 C34 C35 C36 0.6(6) . . . . ?
C34 C35 C36 C31 0.1(6) . . . . ?
C36 C31 C32 C33 0.2(6) . . . . ?
C37 C34 C35 C36 -177.9(4) . . . . ?
C41 P2 C51 C52 -77.3(3) . . . . ?
C41 P2 C51 C56 96.8(4) . . . . ?
C41 P2 C61 C66 142.5(4) . . . . ?
C41 P2 C61 C62 -33.9(4) . . . . ?
C41 C42 C43 C44 0.0(8) . . . . ?
C42 C41 C46 C45 -3.6(6) . . . . ?
C42 C43 C44 C45 -4.3(8) . . . . ?
C42 C43 C44 C47 174.0(5) . . . . ?
C43 C44 C45 C46 4.7(8) . . . . ?
C44 C45 C46 C41 -0.7(8) . . . . ?
C46 C41 C42 C43 4.0(7) . . . . ?
C51 P2 C41 C42 -173.5(3) . . . . ?
C51 P2 C41 C46 8.9(4) . . . . ?
C51 P2 C61 C66 -109.0(4) . . . . ?
C51 P2 C61 C62 74.6(4) . . . . ?
C51 C52 C53 C54 1.0(7) . . . . ?
C52 C51 C56 C55 2.8(6) . . . . ?
C52 C53 C54 C55 3.2(7) . . . . ?
C52 C53 C54 C57 -175.6(4) . . . . ?
C53 C54 C55 C56 -4.4(6) . . . . ?
C54 C55 C56 C51 1.4(6) . . . . ?
C56 C51 C52 C53 -4.0(6) . . . . ?
C57 C54 C55 C56 174.4(4) . . . . ?
C61 P2 C41 C42 -60.1(4) . . . . ?
C61 P2 C41 C46 122.2(4) . . . . ?
C61 P2 C51 C52 174.1(3) . . . . ?
C61 P2 C51 C56 -11.7(4) . . . . ?
C61 C66 C65 C64 2.4(9) . . . . ?
C61 C62 C63 C64 -0.6(8) . . . . ?
C66 C61 C62 C63 1.5(7) . . . . ?
C62 C61 C66 C65 -2.4(7) . . . . ?
C63 C64 C65 C66 -1.4(9) . . . . ?
C65 C64 C63 C62 0.5(8) . . . . ?
C17 C14 C15 C16 -177.9(5) . . . . ?
C67 C64 C63 C62 179.0(5) . . . . ?
C67 C64 C65 C66 -180.0(5) . . . . ?
C47 C44 C45 C46 -173.6(5) . . . . ?

_olex2_date_sample_data_collection 2001-11-28
_olex2_date_sample_submission    2001-11-23
_olex2_exptl_crystal_mounting_method 'mounted on a glasfiber'
_olex2_submission_original_sample_id QZP63M
_olex2_submission_special_instructions 'No special instructions were received'
