# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_jfv1141
_database_code_depnum_ccdc_archive 'CCDC 2143691'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2022-01-21 deposited with the CCDC.	2022-05-04 downloaded from the CCDC.
;
_audit_creation_date             2021-08-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H44 N2 O P3 Rh Si'
_chemical_formula_sum            'C52 H44 N2 O P3 Rh Si'
_chemical_formula_weight         936.80
_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'
N N 0.0061 0.0033 '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'
Rh Rh -1.1178 0.9187 '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                   10.3827(3)
_cell_length_b                   12.4422(4)
_cell_length_c                   19.4032(6)
_cell_angle_alpha                95.9620(10)
_cell_angle_beta                 105.4720(10)
_cell_angle_gamma                110.0900(10)
_cell_volume                     2215.19(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9662
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      30.521
_cell_measurement_theta_min      2.231
_shelx_estimated_absorpt_T_max   0.894
_shelx_estimated_absorpt_T_min   0.798
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_T_max  0.2657
_exptl_absorpt_correction_T_min  0.2183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1315 before and 0.0513 after correction.
The Ratio of minimum to maximum transmission is 0.8216.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.421
_exptl_crystal_size_mid          0.387
_exptl_crystal_size_min          0.204
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            97495
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.553
_diffrn_reflns_theta_min         1.785
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker QUEST PHOTON-III'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11809
_reflns_number_total             13537
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.275
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         13537
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0264
_refine_ls_restrained_S_all      1.053
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0214P)²+1.4192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0621
_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 Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31),
 C32(H32), C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C41(H41),
  C42(H42), C43(H43), C44(H44), C45(H45), C47(H47), C48(H48), C49(H49),
 C50(H50), C51(H51)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.48386(2) 0.25133(2) 0.73861(2) 0.01103(3) Uani 1 1 d . . . . .
P1 P 0.38928(4) 0.05258(3) 0.73291(2) 0.01289(7) Uani 1 1 d . . . . .
P2 P 0.53490(4) 0.37270(3) 0.85016(2) 0.01315(7) Uani 1 1 d . . . . .
P3 P 0.47734(4) 0.34202(3) 0.63873(2) 0.01227(6) Uani 1 1 d . . . . .
Si1 Si 0.24577(4) 0.22657(3) 0.73261(2) 0.01282(7) Uani 1 1 d . . . . .
O1 O 0.78653(13) 0.24895(13) 0.76808(8) 0.0399(3) Uani 1 1 d . . . . .
N1 N 0.17576(12) 0.09674(10) 0.76698(6) 0.0154(2) Uani 1 1 d . . . . .
N2 N 0.25433(12) 0.34364(10) 0.79766(6) 0.0148(2) Uani 1 1 d . . . . .
C1 C 0.09007(15) 0.21143(13) 0.65194(8) 0.0202(3) Uani 1 1 d . . . . .
H1A H 0.111449 0.284667 0.634438 0.030 Uiso 1 1 calc R U . . .
H1B H 0.002619 0.194456 0.666218 0.030 Uiso 1 1 calc R U . . .
H1C H 0.074335 0.147226 0.612773 0.030 Uiso 1 1 calc R U . . .
C2 C 0.06150(16) 0.05494(13) 0.79301(8) 0.0215(3) Uani 1 1 d . . . . .
H2 H -0.004334 0.091249 0.795990 0.026 Uiso 1 1 calc R U . . .
C3 C 0.05767(18) -0.04798(14) 0.81409(9) 0.0261(3) Uani 1 1 d . . . . .
H3 H -0.010223 -0.094674 0.834338 0.031 Uiso 1 1 calc R U . . .
C4 C 0.17332(17) -0.07161(13) 0.80011(9) 0.0225(3) Uani 1 1 d . . . . .
H4 H 0.197406 -0.137146 0.808880 0.027 Uiso 1 1 calc R U . . .
C5 C 0.24445(15) 0.01888(11) 0.77128(7) 0.0158(3) Uani 1 1 d . . . . .
C6 C 0.30535(15) -0.04558(11) 0.64236(7) 0.0160(3) Uani 1 1 d . . . . .
C7 C 0.15716(16) -0.11388(12) 0.61406(8) 0.0206(3) Uani 1 1 d . . . . .
H7 H 0.096283 -0.112050 0.642663 0.025 Uiso 1 1 calc R U . . .
C8 C 0.09826(19) -0.18476(14) 0.54392(9) 0.0279(3) Uani 1 1 d . . . . .
H8 H -0.002949 -0.230301 0.524536 0.033 Uiso 1 1 calc R U . . .
C9 C 0.1865(2) -0.18904(15) 0.50247(9) 0.0295(4) Uani 1 1 d . . . . .
H9 H 0.146229 -0.239259 0.455224 0.035 Uiso 1 1 calc R U . . .
C10 C 0.3334(2) -0.12053(16) 0.52944(8) 0.0284(4) Uani 1 1 d . . . . .
H10 H 0.393771 -0.122900 0.500618 0.034 Uiso 1 1 calc R U . . .
C11 C 0.39215(18) -0.04827(14) 0.59888(8) 0.0227(3) Uani 1 1 d . . . . .
H11 H 0.492653 -0.000101 0.616978 0.027 Uiso 1 1 calc R U . . .
C12 C 0.50862(15) -0.01398(12) 0.78162(7) 0.0155(2) Uani 1 1 d . . . . .
C13 C 0.49927(19) -0.12549(14) 0.75471(9) 0.0269(3) Uani 1 1 d . . . . .
H13 H 0.427418 -0.171011 0.709570 0.032 Uiso 1 1 calc R U . . .
C14 C 0.5947(2) -0.17071(16) 0.79360(10) 0.0334(4) Uani 1 1 d . . . . .
H14 H 0.586793 -0.247221 0.774997 0.040 Uiso 1 1 calc R U . . .
C15 C 0.70045(19) -0.10545(15) 0.85883(9) 0.0267(3) Uani 1 1 d . . . . .
H15 H 0.766378 -0.136070 0.884795 0.032 Uiso 1 1 calc R U . . .
C16 C 0.70958(18) 0.00522(15) 0.88611(9) 0.0272(3) Uani 1 1 d . . . . .
H16 H 0.781565 0.050384 0.931292 0.033 Uiso 1 1 calc R U . . .
C17 C 0.61449(17) 0.05056(13) 0.84799(8) 0.0228(3) Uani 1 1 d . . . . .
H17 H 0.621676 0.126501 0.867372 0.027 Uiso 1 1 calc R U . . .
C18 C 0.15356(16) 0.38950(13) 0.80304(8) 0.0199(3) Uani 1 1 d . . . . .
H18 H 0.053577 0.355722 0.774908 0.024 Uiso 1 1 calc R U . . .
C19 C 0.21989(17) 0.49153(14) 0.85534(9) 0.0244(3) Uani 1 1 d . . . . .
H19 H 0.174602 0.540537 0.869723 0.029 Uiso 1 1 calc R U . . .
C20 C 0.36841(17) 0.51066(13) 0.88407(8) 0.0210(3) Uani 1 1 d . . . . .
H20 H 0.441291 0.574915 0.921070 0.025 Uiso 1 1 calc R U . . .
C21 C 0.38720(15) 0.41823(12) 0.84810(7) 0.0152(2) Uani 1 1 d . . . . .
C22 C 0.69428(15) 0.51027(12) 0.88673(8) 0.0167(3) Uani 1 1 d . . . . .
C23 C 0.78128(16) 0.55180(13) 0.84414(8) 0.0204(3) Uani 1 1 d . . . . .
H23 H 0.759947 0.507236 0.796762 0.025 Uiso 1 1 calc R U . . .
C24 C 0.90000(17) 0.65891(14) 0.87084(9) 0.0264(3) Uani 1 1 d . . . . .
H24 H 0.958834 0.687401 0.841471 0.032 Uiso 1 1 calc R U . . .
C25 C 0.93192(17) 0.72348(13) 0.94000(9) 0.0267(3) Uani 1 1 d . . . . .
H25 H 1.012515 0.796432 0.958004 0.032 Uiso 1 1 calc R U . . .
C26 C 0.84682(17) 0.68215(13) 0.98305(9) 0.0248(3) Uani 1 1 d . . . . .
H26 H 0.869417 0.726530 1.030652 0.030 Uiso 1 1 calc R U . . .
C27 C 0.72856(16) 0.57601(13) 0.95680(8) 0.0215(3) Uani 1 1 d . . . . .
H27 H 0.670547 0.547839 0.986590 0.026 Uiso 1 1 calc R U . . .
C28 C 0.54792(15) 0.30034(12) 0.92778(7) 0.0151(2) Uani 1 1 d . . . . .
C29 C 0.68042(16) 0.30490(13) 0.97295(8) 0.0194(3) Uani 1 1 d . . . . .
H29 H 0.768485 0.354269 0.967587 0.023 Uiso 1 1 calc R U . . .
C30 C 0.68360(18) 0.23734(14) 1.02572(8) 0.0232(3) Uani 1 1 d . . . . .
H30 H 0.774134 0.241378 1.056341 0.028 Uiso 1 1 calc R U . . .
C31 C 0.55650(19) 0.16431(14) 1.03415(9) 0.0265(3) Uani 1 1 d . . . . .
H31 H 0.559394 0.117983 1.070044 0.032 Uiso 1 1 calc R U . . .
C32 C 0.42481(18) 0.15960(15) 0.98953(9) 0.0265(3) Uani 1 1 d . . . . .
H32 H 0.337043 0.109776 0.994955 0.032 Uiso 1 1 calc R U . . .
C33 C 0.42042(16) 0.22715(13) 0.93702(8) 0.0204(3) Uani 1 1 d . . . . .
H33 H 0.329581 0.223518 0.907036 0.024 Uiso 1 1 calc R U . . .
C34 C 0.41225(16) 0.25488(12) 0.54509(7) 0.0161(3) Uani 1 1 d . . . . .
C35 C 0.28986(17) 0.15106(13) 0.52526(8) 0.0230(3) Uani 1 1 d . . . . .
H35 H 0.248555 0.122616 0.561215 0.028 Uiso 1 1 calc R U . . .
C36 C 0.2281(2) 0.08904(15) 0.45296(9) 0.0328(4) Uani 1 1 d . . . . .
H36 H 0.143074 0.019459 0.439559 0.039 Uiso 1 1 calc R U . . .
C37 C 0.2889(2) 0.12733(16) 0.40041(9) 0.0334(4) Uani 1 1 d . . . . .
H37 H 0.246092 0.084359 0.351092 0.040 Uiso 1 1 calc R U . . .
C38 C 0.4121(2) 0.22834(16) 0.41997(9) 0.0288(4) Uani 1 1 d . . . . .
H38 H 0.455892 0.253847 0.384262 0.035 Uiso 1 1 calc R U . . .
C39 C 0.47252(18) 0.29306(14) 0.49149(8) 0.0217(3) Uani 1 1 d . . . . .
H39 H 0.555649 0.363950 0.504055 0.026 Uiso 1 1 calc R U . . .
C40 C 0.37274(15) 0.43474(11) 0.62486(8) 0.0156(2) Uani 1 1 d . . . . .
C41 C 0.29326(16) 0.44183(14) 0.55610(9) 0.0232(3) Uani 1 1 d . . . . .
H41 H 0.291720 0.395351 0.513590 0.028 Uiso 1 1 calc R U . . .
C42 C 0.2178(2) 0.51302(18) 0.54777(12) 0.0375(4) Uani 1 1 d . . . . .
H42 H 0.163779 0.514942 0.500278 0.045 Uiso 1 1 calc R U . . .
C43 C 0.2207(2) 0.57992(19) 0.60706(12) 0.0391(4) Uani 1 1 d . . . . .
H43 H 0.171324 0.631744 0.601525 0.047 Uiso 1 1 calc R U . . .
C44 C 0.29394(18) 0.57458(14) 0.67550(10) 0.0259(3) Uani 1 1 d . . . . .
H44 H 0.291882 0.620981 0.716976 0.031 Uiso 1 1 calc R U . . .
C45 C 0.37097(16) 0.50329(12) 0.68587(8) 0.0174(3) Uani 1 1 d . . . . .
H45 H 0.422027 0.500997 0.733894 0.021 Uiso 1 1 calc R U . . .
C46 C 0.65808(15) 0.44533(12) 0.64493(7) 0.0148(2) Uani 1 1 d . . . . .
C47 C 0.69561(16) 0.56591(13) 0.65801(9) 0.0212(3) Uani 1 1 d . . . . .
H47 H 0.623352 0.596403 0.658048 0.025 Uiso 1 1 calc R U . . .
C48 C 0.83822(17) 0.64259(13) 0.67106(10) 0.0265(3) Uani 1 1 d . . . . .
H48 H 0.862513 0.724795 0.679861 0.032 Uiso 1 1 calc R U . . .
C49 C 0.94386(17) 0.59936(14) 0.67123(10) 0.0276(3) Uani 1 1 d . . . . .
H49 H 1.041491 0.651636 0.681533 0.033 Uiso 1 1 calc R U . . .
C50 C 0.90705(17) 0.47870(14) 0.65624(9) 0.0252(3) Uani 1 1 d . . . . .
H50 H 0.979156 0.448556 0.654985 0.030 Uiso 1 1 calc R U . . .
C51 C 0.76541(16) 0.40268(13) 0.64316(8) 0.0196(3) Uani 1 1 d . . . . .
H51 H 0.740993 0.320488 0.632863 0.024 Uiso 1 1 calc R U . . .
C52 C 0.67501(16) 0.25347(13) 0.75546(9) 0.0214(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P1 2.3041(4) . ?
Rh1 P2 2.3249(4) . ?
Rh1 P3 2.3389(4) . ?
Rh1 Si1 2.3527(4) . ?
Rh1 C52 1.9137(15) . ?
P1 C5 1.7946(14) . ?
P1 C6 1.8286(14) . ?
P1 C12 1.8322(14) . ?
P2 C21 1.8008(15) . ?
P2 C22 1.8295(14) . ?
P2 C28 1.8315(14) . ?
P3 C34 1.8345(14) . ?
P3 C40 1.8308(14) . ?
P3 C46 1.8381(14) . ?
Si1 N1 1.8050(12) . ?
Si1 N2 1.7865(12) . ?
Si1 C1 1.8651(15) . ?
O1 C52 1.1403(19) . ?
N1 C2 1.3723(18) . ?
N1 C5 1.3834(18) . ?
N2 C18 1.3738(18) . ?
N2 C21 1.3906(17) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2 0.9500 . ?
C2 C3 1.375(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.415(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.3806(19) . ?
C6 C7 1.395(2) . ?
C6 C11 1.395(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.393(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.381(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.384(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.389(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(2) . ?
C12 C17 1.391(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.378(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.369(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.417(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.3812(19) . ?
C22 C23 1.390(2) . ?
C22 C27 1.398(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.397(2) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.399(2) . ?
C28 C33 1.395(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.391(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.388(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.388(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.393(2) . ?
C34 C39 1.395(2) . ?
C35 H35 0.9500 . ?
C35 C36 1.389(2) . ?
C36 H36 0.9500 . ?
C36 C37 1.379(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.377(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.387(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.398(2) . ?
C40 C45 1.394(2) . ?
C41 H41 0.9500 . ?
C41 C42 1.365(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.335(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.364(3) . ?
C44 H44 0.9500 . ?
C44 C45 1.380(2) . ?
C45 H45 0.9500 . ?
C46 C47 1.3905(19) . ?
C46 C51 1.395(2) . ?
C47 H47 0.9500 . ?
C47 C48 1.395(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.377(2) . ?
C49 H49 0.9500 . ?
C49 C50 1.393(2) . ?
C50 H50 0.9500 . ?
C50 C51 1.385(2) . ?
C51 H51 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 Rh1 P2 116.367(13) . . ?
P1 Rh1 P3 126.174(13) . . ?
P1 Rh1 Si1 80.855(13) . . ?
P2 Rh1 P3 115.410(13) . . ?
P2 Rh1 Si1 81.139(13) . . ?
P3 Rh1 Si1 93.463(13) . . ?
C52 Rh1 P1 91.66(5) . . ?
C52 Rh1 P2 96.25(5) . . ?
C52 Rh1 P3 96.51(5) . . ?
C52 Rh1 Si1 169.84(4) . . ?
C5 P1 Rh1 109.05(5) . . ?
C5 P1 C6 103.31(7) . . ?
C5 P1 C12 104.50(6) . . ?
C6 P1 Rh1 117.83(5) . . ?
C6 P1 C12 101.85(6) . . ?
C12 P1 Rh1 118.54(5) . . ?
C21 P2 Rh1 109.81(5) . . ?
C21 P2 C22 103.04(6) . . ?
C21 P2 C28 103.19(6) . . ?
C22 P2 Rh1 122.35(5) . . ?
C22 P2 C28 102.20(6) . . ?
C28 P2 Rh1 114.13(4) . . ?
C34 P3 Rh1 120.73(4) . . ?
C34 P3 C46 101.91(6) . . ?
C40 P3 Rh1 118.48(5) . . ?
C40 P3 C34 99.46(6) . . ?
C40 P3 C46 101.31(6) . . ?
C46 P3 Rh1 111.99(4) . . ?
N1 Si1 Rh1 106.24(4) . . ?
N1 Si1 C1 103.30(6) . . ?
N2 Si1 Rh1 108.36(4) . . ?
N2 Si1 N1 104.79(6) . . ?
N2 Si1 C1 102.76(6) . . ?
C1 Si1 Rh1 129.15(5) . . ?
C2 N1 Si1 132.73(11) . . ?
C2 N1 C5 107.84(12) . . ?
C5 N1 Si1 119.42(9) . . ?
C18 N2 Si1 131.78(10) . . ?
C18 N2 C21 107.73(11) . . ?
C21 N2 Si1 119.78(10) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2 125.5 . . ?
N1 C2 C3 109.02(14) . . ?
C3 C2 H2 125.5 . . ?
C2 C3 H3 126.3 . . ?
C2 C3 C4 107.48(13) . . ?
C4 C3 H3 126.3 . . ?
C3 C4 H4 126.6 . . ?
C5 C4 C3 106.81(13) . . ?
C5 C4 H4 126.6 . . ?
N1 C5 P1 114.55(10) . . ?
C4 C5 P1 136.38(12) . . ?
C4 C5 N1 108.84(13) . . ?
C7 C6 P1 122.50(11) . . ?
C7 C6 C11 118.89(13) . . ?
C11 C6 P1 118.55(11) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.12(15) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.20(15) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.30(14) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.65(16) . . ?
C11 C10 H10 120.2 . . ?
C6 C11 H11 119.6 . . ?
C10 C11 C6 120.80(15) . . ?
C10 C11 H11 119.6 . . ?
C13 C12 P1 122.94(11) . . ?
C17 C12 P1 118.45(11) . . ?
C17 C12 C13 118.61(14) . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.36(15) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.59(15) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.28(15) . . ?
C16 C15 H15 120.4 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.48(15) . . ?
C17 C16 H16 119.8 . . ?
C12 C17 H17 119.7 . . ?
C16 C17 C12 120.66(14) . . ?
C16 C17 H17 119.7 . . ?
N2 C18 H18 125.4 . . ?
C19 C18 N2 109.28(13) . . ?
C19 C18 H18 125.4 . . ?
C18 C19 H19 126.3 . . ?
C18 C19 C20 107.49(13) . . ?
C20 C19 H19 126.3 . . ?
C19 C20 H20 126.5 . . ?
C21 C20 C19 107.03(13) . . ?
C21 C20 H20 126.5 . . ?
N2 C21 P2 114.72(10) . . ?
C20 C21 P2 136.82(11) . . ?
C20 C21 N2 108.47(12) . . ?
C23 C22 P2 119.97(10) . . ?
C23 C22 C27 119.21(13) . . ?
C27 C22 P2 120.81(11) . . ?
C22 C23 H23 119.9 . . ?
C22 C23 C24 120.14(14) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.03(15) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.18(14) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 120.09(14) . . ?
C27 C26 H26 120.0 . . ?
C22 C27 H27 119.8 . . ?
C26 C27 C22 120.34(15) . . ?
C26 C27 H27 119.8 . . ?
C29 C28 P2 122.24(11) . . ?
C33 C28 P2 118.74(10) . . ?
C33 C28 C29 118.60(13) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.19(14) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.6 . . ?
C31 C30 C29 120.82(14) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 120.4 . . ?
C30 C31 C32 119.19(14) . . ?
C32 C31 H31 120.4 . . ?
C31 C32 H32 119.8 . . ?
C31 C32 C33 120.46(15) . . ?
C33 C32 H32 119.8 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.73(14) . . ?
C32 C33 H33 119.6 . . ?
C35 C34 P3 118.34(11) . . ?
C35 C34 C39 118.69(13) . . ?
C39 C34 P3 122.74(11) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.07(15) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.77(16) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 H37 120.3 . . ?
C38 C37 C36 119.49(15) . . ?
C38 C37 H37 120.3 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.41(16) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.7 . . ?
C38 C39 C34 120.53(15) . . ?
C38 C39 H39 119.7 . . ?
C41 C40 P3 124.05(12) . . ?
C45 C40 P3 118.94(11) . . ?
C45 C40 C41 117.01(13) . . ?
C40 C41 H41 118.8 . . ?
C42 C41 C40 122.47(17) . . ?
C42 C41 H41 118.8 . . ?
C41 C42 H42 120.3 . . ?
C43 C42 C41 119.32(19) . . ?
C43 C42 H42 120.3 . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C44 120.63(19) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 H44 119.3 . . ?
C43 C44 C45 121.49(17) . . ?
C45 C44 H44 119.3 . . ?
C40 C45 H45 120.5 . . ?
C44 C45 C40 119.03(14) . . ?
C44 C45 H45 120.5 . . ?
C47 C46 P3 122.12(11) . . ?
C47 C46 C51 118.52(13) . . ?
C51 C46 P3 119.10(10) . . ?
C46 C47 H47 119.6 . . ?
C46 C47 C48 120.71(14) . . ?
C48 C47 H47 119.6 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.14(15) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.1 . . ?
C48 C49 C50 119.76(14) . . ?
C50 C49 H49 120.1 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.03(15) . . ?
C51 C50 H50 120.0 . . ?
C46 C51 H51 119.6 . . ?
C50 C51 C46 120.81(14) . . ?
C50 C51 H51 119.6 . . ?
O1 C52 Rh1 175.36(14) . . ?

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
Rh1 P1 C5 N1 26.60(11) . . . . ?
Rh1 P1 C5 C4 -159.63(15) . . . . ?
Rh1 P1 C6 C7 -112.92(11) . . . . ?
Rh1 P1 C6 C11 64.29(12) . . . . ?
Rh1 P1 C12 C13 -143.93(12) . . . . ?
Rh1 P1 C12 C17 35.19(14) . . . . ?
Rh1 P2 C21 N2 23.83(11) . . . . ?
Rh1 P2 C21 C20 -155.96(15) . . . . ?
Rh1 P2 C22 C23 6.97(14) . . . . ?
Rh1 P2 C22 C27 -174.37(10) . . . . ?
Rh1 P2 C28 C29 94.80(11) . . . . ?
Rh1 P2 C28 C33 -77.58(12) . . . . ?
Rh1 P3 C34 C35 41.96(13) . . . . ?
Rh1 P3 C34 C39 -143.62(11) . . . . ?
Rh1 P3 C40 C41 -143.42(11) . . . . ?
Rh1 P3 C40 C45 36.68(12) . . . . ?
Rh1 P3 C46 C47 -110.37(12) . . . . ?
Rh1 P3 C46 C51 63.65(12) . . . . ?
Rh1 Si1 N1 C2 161.59(13) . . . . ?
Rh1 Si1 N1 C5 -17.21(11) . . . . ?
Rh1 Si1 N2 C18 159.36(12) . . . . ?
Rh1 Si1 N2 C21 -9.66(11) . . . . ?
P1 C6 C7 C8 178.23(11) . . . . ?
P1 C6 C11 C10 -179.43(12) . . . . ?
P1 C12 C13 C14 178.87(14) . . . . ?
P1 C12 C17 C16 -178.51(13) . . . . ?
P2 C22 C23 C24 177.65(12) . . . . ?
P2 C22 C27 C26 -177.80(12) . . . . ?
P2 C28 C29 C30 -172.30(11) . . . . ?
P2 C28 C33 C32 172.17(12) . . . . ?
P3 C34 C35 C36 173.16(13) . . . . ?
P3 C34 C39 C38 -174.79(12) . . . . ?
P3 C40 C41 C42 -179.22(13) . . . . ?
P3 C40 C45 C44 179.04(11) . . . . ?
P3 C46 C47 C48 172.32(13) . . . . ?
P3 C46 C51 C50 -172.39(12) . . . . ?
Si1 N1 C2 C3 -178.55(11) . . . . ?
Si1 N1 C5 P1 -5.55(14) . . . . ?
Si1 N1 C5 C4 178.98(10) . . . . ?
Si1 N2 C18 C19 -169.64(11) . . . . ?
Si1 N2 C21 P2 -8.99(14) . . . . ?
Si1 N2 C21 C20 170.86(10) . . . . ?
N1 Si1 N2 C18 -87.55(14) . . . . ?
N1 Si1 N2 C21 103.44(11) . . . . ?
N1 C2 C3 C4 -0.46(19) . . . . ?
N2 Si1 N1 C2 47.00(15) . . . . ?
N2 Si1 N1 C5 -131.80(10) . . . . ?
N2 C18 C19 C20 -0.03(18) . . . . ?
C1 Si1 N1 C2 -60.29(15) . . . . ?
C1 Si1 N1 C5 120.91(11) . . . . ?
C1 Si1 N2 C18 20.13(15) . . . . ?
C1 Si1 N2 C21 -148.88(11) . . . . ?
C2 N1 C5 P1 175.38(10) . . . . ?
C2 N1 C5 C4 -0.09(16) . . . . ?
C2 C3 C4 C5 0.40(18) . . . . ?
C3 C4 C5 P1 -174.21(13) . . . . ?
C3 C4 C5 N1 -0.19(17) . . . . ?
C5 P1 C6 C7 7.36(13) . . . . ?
C5 P1 C6 C11 -175.44(12) . . . . ?
C5 P1 C12 C13 94.45(14) . . . . ?
C5 P1 C12 C17 -86.43(13) . . . . ?
C5 N1 C2 C3 0.35(17) . . . . ?
C6 P1 C5 N1 -99.50(11) . . . . ?
C6 P1 C5 C4 74.27(17) . . . . ?
C6 P1 C12 C13 -12.85(15) . . . . ?
C6 P1 C12 C17 166.27(12) . . . . ?
C6 C7 C8 C9 0.9(2) . . . . ?
C7 C6 C11 C10 -2.1(2) . . . . ?
C7 C8 C9 C10 -1.8(2) . . . . ?
C8 C9 C10 C11 0.7(2) . . . . ?
C9 C10 C11 C6 1.2(2) . . . . ?
C11 C6 C7 C8 1.0(2) . . . . ?
C12 P1 C5 N1 154.29(10) . . . . ?
C12 P1 C5 C4 -31.93(17) . . . . ?
C12 P1 C6 C7 115.57(12) . . . . ?
C12 P1 C6 C11 -67.22(13) . . . . ?
C12 C13 C14 C15 -0.6(3) . . . . ?
C13 C12 C17 C16 0.7(2) . . . . ?
C13 C14 C15 C16 1.1(3) . . . . ?
C14 C15 C16 C17 -0.6(3) . . . . ?
C15 C16 C17 C12 -0.2(3) . . . . ?
C17 C12 C13 C14 -0.2(3) . . . . ?
C18 N2 C21 P2 179.59(10) . . . . ?
C18 N2 C21 C20 -0.56(16) . . . . ?
C18 C19 C20 C21 -0.31(18) . . . . ?
C19 C20 C21 P2 -179.66(13) . . . . ?
C19 C20 C21 N2 0.54(17) . . . . ?
C21 P2 C22 C23 -116.98(12) . . . . ?
C21 P2 C22 C27 61.68(13) . . . . ?
C21 P2 C28 C29 -146.10(12) . . . . ?
C21 P2 C28 C33 41.53(13) . . . . ?
C21 N2 C18 C19 0.36(17) . . . . ?
C22 P2 C21 N2 155.69(10) . . . . ?
C22 P2 C21 C20 -24.11(18) . . . . ?
C22 P2 C28 C29 -39.37(13) . . . . ?
C22 P2 C28 C33 148.26(12) . . . . ?
C22 C23 C24 C25 0.5(3) . . . . ?
C23 C22 C27 C26 0.9(2) . . . . ?
C23 C24 C25 C26 0.2(3) . . . . ?
C24 C25 C26 C27 -0.4(3) . . . . ?
C25 C26 C27 C22 -0.2(2) . . . . ?
C27 C22 C23 C24 -1.0(2) . . . . ?
C28 P2 C21 N2 -98.23(11) . . . . ?
C28 P2 C21 C20 81.98(17) . . . . ?
C28 P2 C22 C23 136.17(12) . . . . ?
C28 P2 C22 C27 -45.16(14) . . . . ?
C28 C29 C30 C31 0.4(2) . . . . ?
C29 C28 C33 C32 -0.5(2) . . . . ?
C29 C30 C31 C32 -0.5(2) . . . . ?
C30 C31 C32 C33 0.1(3) . . . . ?
C31 C32 C33 C28 0.4(2) . . . . ?
C33 C28 C29 C30 0.1(2) . . . . ?
C34 P3 C40 C41 -10.59(13) . . . . ?
C34 P3 C40 C45 169.50(11) . . . . ?
C34 P3 C46 C47 119.20(12) . . . . ?
C34 P3 C46 C51 -66.78(12) . . . . ?
C34 C35 C36 C37 1.8(3) . . . . ?
C35 C34 C39 C38 -0.4(2) . . . . ?
C35 C36 C37 C38 -0.1(3) . . . . ?
C36 C37 C38 C39 -1.8(3) . . . . ?
C37 C38 C39 C34 2.1(2) . . . . ?
C39 C34 C35 C36 -1.5(2) . . . . ?
C40 P3 C34 C35 -89.46(12) . . . . ?
C40 P3 C34 C39 84.97(13) . . . . ?
C40 P3 C46 C47 16.88(13) . . . . ?
C40 P3 C46 C51 -169.10(11) . . . . ?
C40 C41 C42 C43 0.9(3) . . . . ?
C41 C40 C45 C44 -0.9(2) . . . . ?
C41 C42 C43 C44 -2.3(3) . . . . ?
C42 C43 C44 C45 2.1(3) . . . . ?
C43 C44 C45 C40 -0.5(2) . . . . ?
C45 C40 C41 C42 0.7(2) . . . . ?
C46 P3 C34 C35 166.75(12) . . . . ?
C46 P3 C34 C39 -18.82(14) . . . . ?
C46 P3 C40 C41 93.69(13) . . . . ?
C46 P3 C40 C45 -86.22(12) . . . . ?
C46 C47 C48 C49 -0.1(3) . . . . ?
C47 C46 C51 C50 1.8(2) . . . . ?
C47 C48 C49 C50 1.8(3) . . . . ?
C48 C49 C50 C51 -1.7(3) . . . . ?
C49 C50 C51 C46 -0.1(2) . . . . ?
C51 C46 C47 C48 -1.7(2) . . . . ?

_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_mwjiii4041a
_database_code_depnum_ccdc_archive 'CCDC 2143693'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2022-01-21 deposited with the CCDC.	2022-05-04 downloaded from the CCDC.
;
_audit_creation_date             2021-08-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H28 Cl2 N2 P2 Pt'
_chemical_formula_sum            'C32 H28 Cl2 N2 P2 Pt'
_chemical_formula_weight         768.49
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   9.3937(4)
_cell_length_b                   12.2210(4)
_cell_length_c                   14.1646(5)
_cell_angle_alpha                99.4630(10)
_cell_angle_beta                 100.9600(10)
_cell_angle_gamma                111.2430(10)
_cell_volume                     1438.79(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9825
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      27.578
_cell_measurement_theta_min      2.373
_shelx_estimated_absorpt_T_max   0.678
_shelx_estimated_absorpt_T_min   0.412
_exptl_absorpt_coefficient_mu    5.199
_exptl_absorpt_correction_T_max  0.3334
_exptl_absorpt_correction_T_min  0.2010
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0786 before and 0.0400 after correction.
The Ratio of minimum to maximum transmission is 0.6029.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.207
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.081
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26811
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.595
_diffrn_reflns_theta_min         1.849
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker QUEST PHOTON-III'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6256
_reflns_number_total             6631
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.247
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         6631
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0244
_refine_ls_restrained_S_all      1.165
_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)+3.7605P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0540
_refine_ls_wR_factor_ref         0.0554
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3), C4(H4), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12),
 C13(H13), C14(H14), C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C22(H22),
  C23(H23), C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30),
 C31(H31), C32(H32)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.40727(2) 0.09459(2) 0.64531(2) 0.01549(4) Uani 1 1 d . . . . .
Cl1 Cl 0.24310(10) -0.02946(7) 0.48910(6) 0.02191(16) Uani 1 1 d . . . . .
Cl2 Cl 0.40300(9) -0.08448(6) 0.68956(6) 0.01984(15) Uani 1 1 d . . . . .
P1 P 0.41577(10) 0.25988(7) 0.59213(6) 0.01528(15) Uani 1 1 d . . . . .
P2 P 0.57037(10) 0.19554(7) 0.79953(6) 0.01669(15) Uani 1 1 d . . . . .
N1 N 0.7036(4) 0.2798(3) 0.5637(2) 0.0234(6) Uani 1 1 d . . . . .
H1 H 0.662(6) 0.199(4) 0.546(4) 0.043(13) Uiso 1 1 d . . . . .
N2 N 0.7720(4) 0.0889(3) 0.7483(2) 0.0245(6) Uani 1 1 d . . . . .
H2 H 0.698(6) 0.047(4) 0.694(4) 0.045(14) Uiso 1 1 d . . . . .
C1 C 0.6131(4) 0.3431(3) 0.5859(2) 0.0180(6) Uani 1 1 d . . . . .
C2 C 0.7052(4) 0.4648(3) 0.5965(3) 0.0253(7) Uani 1 1 d . . . . .
H2A H 0.675084 0.530427 0.611888 0.030 Uiso 1 1 calc R U . . .
C3 C 0.8538(4) 0.4730(3) 0.5800(3) 0.0298(8) Uani 1 1 d . . . . .
H3 H 0.940801 0.545105 0.582495 0.036 Uiso 1 1 calc R U . . .
C4 C 0.8473(4) 0.3568(3) 0.5598(3) 0.0286(8) Uani 1 1 d . . . . .
H4 H 0.929432 0.334485 0.545573 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3491(4) 0.3613(3) 0.6625(2) 0.0208(6) Uani 1 1 d . . . . .
C6 C 0.3736(4) 0.4744(3) 0.6446(3) 0.0244(7) Uani 1 1 d . . . . .
H6 H 0.430671 0.500922 0.598194 0.029 Uiso 1 1 calc R U . . .
C7 C 0.3144(5) 0.5486(3) 0.6947(3) 0.0335(9) Uani 1 1 d . . . . .
H7 H 0.333941 0.626833 0.683828 0.040 Uiso 1 1 calc R U . . .
C8 C 0.2277(5) 0.5091(3) 0.7597(3) 0.0340(9) Uani 1 1 d . . . . .
H8 H 0.188408 0.560439 0.794059 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1975(5) 0.3945(4) 0.7754(3) 0.0339(9) Uani 1 1 d . . . . .
H9 H 0.135974 0.366776 0.819398 0.041 Uiso 1 1 calc R U . . .
C10 C 0.2577(4) 0.3204(3) 0.7262(3) 0.0257(7) Uani 1 1 d . . . . .
H10 H 0.236232 0.241617 0.736262 0.031 Uiso 1 1 calc R U . . .
C11 C 0.2910(4) 0.2312(3) 0.4673(2) 0.0169(6) Uani 1 1 d . . . . .
C12 C 0.3555(4) 0.2409(3) 0.3870(2) 0.0212(7) Uani 1 1 d . . . . .
H12 H 0.464785 0.257627 0.395833 0.025 Uiso 1 1 calc R U . . .
C13 C 0.2607(5) 0.2264(3) 0.2940(3) 0.0265(7) Uani 1 1 d . . . . .
H13 H 0.304617 0.232927 0.238968 0.032 Uiso 1 1 calc R U . . .
C14 C 0.1032(5) 0.2024(3) 0.2821(3) 0.0301(8) Uani 1 1 d . . . . .
H14 H 0.038985 0.195080 0.218871 0.036 Uiso 1 1 calc R U . . .
C15 C 0.0364(4) 0.1888(3) 0.3602(3) 0.0276(8) Uani 1 1 d . . . . .
H15 H -0.073594 0.170103 0.350182 0.033 Uiso 1 1 calc R U . . .
C16 C 0.1289(4) 0.2021(3) 0.4531(3) 0.0238(7) Uani 1 1 d . . . . .
H16 H 0.082802 0.191644 0.506952 0.029 Uiso 1 1 calc R U . . .
C17 C 0.7461(4) 0.1661(3) 0.8179(2) 0.0202(6) Uani 1 1 d . . . . .
C18 C 0.8815(5) 0.2172(4) 0.8965(3) 0.0307(8) Uani 1 1 d . . . . .
H18 H 0.899713 0.276235 0.955324 0.037 Uiso 1 1 calc R U . . .
C19 C 0.9883(5) 0.1665(3) 0.8742(3) 0.0297(8) Uani 1 1 d . . . . .
H19 H 1.089890 0.183104 0.915504 0.036 Uiso 1 1 calc R U . . .
C20 C 0.9163(4) 0.0882(3) 0.7806(3) 0.0277(8) Uani 1 1 d . . . . .
H20 H 0.960609 0.041889 0.745180 0.033 Uiso 1 1 calc R U . . .
C21 C 0.4769(4) 0.1502(3) 0.8971(2) 0.0226(7) Uani 1 1 d . . . . .
C22 C 0.3199(5) 0.0703(3) 0.8747(3) 0.0278(8) Uani 1 1 d . . . . .
H22 H 0.257510 0.039613 0.807484 0.033 Uiso 1 1 calc R U . . .
C23 C 0.2520(5) 0.0343(4) 0.9500(3) 0.0342(9) Uani 1 1 d . . . . .
H23 H 0.143154 -0.019036 0.934131 0.041 Uiso 1 1 calc R U . . .
C24 C 0.3430(5) 0.0763(4) 1.0472(3) 0.0349(9) Uani 1 1 d . . . . .
H24 H 0.297654 0.050087 1.098323 0.042 Uiso 1 1 calc R U . . .
C25 C 0.4996(6) 0.1561(4) 1.0705(3) 0.0405(10) Uani 1 1 d . . . . .
H25 H 0.561991 0.185745 1.137761 0.049 Uiso 1 1 calc R U . . .
C26 C 0.5663(5) 0.1931(4) 0.9956(3) 0.0347(9) Uani 1 1 d . . . . .
H26 H 0.674371 0.248493 1.011976 0.042 Uiso 1 1 calc R U . . .
C27 C 0.6555(4) 0.3612(3) 0.8393(2) 0.0207(6) Uani 1 1 d . . . . .
C28 C 0.7939(4) 0.4287(3) 0.8169(3) 0.0243(7) Uani 1 1 d . . . . .
H28 H 0.846103 0.388298 0.782892 0.029 Uiso 1 1 calc R U . . .
C29 C 0.8562(5) 0.5547(3) 0.8440(3) 0.0304(8) Uani 1 1 d . . . . .
H29 H 0.950973 0.600304 0.828758 0.037 Uiso 1 1 calc R U . . .
C30 C 0.7806(5) 0.6138(3) 0.8931(3) 0.0331(9) Uani 1 1 d . . . . .
H30 H 0.823825 0.699968 0.912001 0.040 Uiso 1 1 calc R U . . .
C31 C 0.6430(5) 0.5483(3) 0.9146(3) 0.0348(9) Uani 1 1 d . . . . .
H31 H 0.590000 0.589489 0.946876 0.042 Uiso 1 1 calc R U . . .
C32 C 0.5804(5) 0.4216(3) 0.8893(3) 0.0294(8) Uani 1 1 d . . . . .
H32 H 0.486985 0.376704 0.906206 0.035 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 Cl1 2.3405(8) . ?
Pt1 Cl2 2.3624(7) . ?
Pt1 P1 2.2495(7) . ?
Pt1 P2 2.2612(8) . ?
P1 C1 1.790(3) . ?
P1 C5 1.822(3) . ?
P1 C11 1.826(3) . ?
P2 C17 1.794(3) . ?
P2 C21 1.830(3) . ?
P2 C27 1.827(3) . ?
N1 H1 0.89(5) . ?
N1 C1 1.385(4) . ?
N1 C4 1.355(5) . ?
N2 H2 0.86(5) . ?
N2 C17 1.369(4) . ?
N2 C20 1.350(5) . ?
C1 C2 1.389(4) . ?
C2 H2A 0.9500 . ?
C2 C3 1.429(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(4) . ?
C5 C10 1.390(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.393(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.375(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.392(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.389(4) . ?
C11 C16 1.397(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.386(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.371(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.377(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.380(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.414(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.379(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.380(5) . ?
C21 C26 1.386(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.395(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.376(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.376(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.392(5) . ?
C27 C32 1.392(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.389(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.379(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.373(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.397(5) . ?
C32 H32 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
Cl1 Pt1 Cl2 87.15(3) . . ?
P1 Pt1 Cl1 89.85(3) . . ?
P1 Pt1 Cl2 175.48(3) . . ?
P1 Pt1 P2 96.49(3) . . ?
P2 Pt1 Cl1 173.43(3) . . ?
P2 Pt1 Cl2 86.42(3) . . ?
C1 P1 Pt1 108.90(10) . . ?
C1 P1 C5 109.75(15) . . ?
C1 P1 C11 104.39(15) . . ?
C5 P1 Pt1 116.72(11) . . ?
C5 P1 C11 100.18(15) . . ?
C11 P1 Pt1 116.00(10) . . ?
C17 P2 Pt1 110.64(11) . . ?
C17 P2 C21 107.00(15) . . ?
C17 P2 C27 101.23(16) . . ?
C21 P2 Pt1 112.30(12) . . ?
C27 P2 Pt1 121.12(11) . . ?
C27 P2 C21 103.24(15) . . ?
C1 N1 H1 121(3) . . ?
C4 N1 H1 127(3) . . ?
C4 N1 C1 110.5(3) . . ?
C17 N2 H2 119(3) . . ?
C20 N2 H2 130(3) . . ?
C20 N2 C17 110.7(3) . . ?
N1 C1 P1 118.7(2) . . ?
N1 C1 C2 106.7(3) . . ?
C2 C1 P1 134.6(3) . . ?
C1 C2 H2A 126.3 . . ?
C1 C2 C3 107.4(3) . . ?
C3 C2 H2A 126.3 . . ?
C2 C3 H3 126.4 . . ?
C4 C3 C2 107.2(3) . . ?
C4 C3 H3 126.4 . . ?
N1 C4 C3 108.2(3) . . ?
N1 C4 H4 125.9 . . ?
C3 C4 H4 125.9 . . ?
C6 C5 P1 120.2(3) . . ?
C10 C5 P1 119.8(2) . . ?
C10 C5 C6 119.6(3) . . ?
C5 C6 H6 120.0 . . ?
C5 C6 C7 119.9(3) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.2(3) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.3(3) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.7(3) . . ?
C10 C9 H9 120.1 . . ?
C5 C10 C9 120.2(3) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 P1 121.0(3) . . ?
C12 C11 C16 119.7(3) . . ?
C16 C11 P1 119.3(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.1(3) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.4(3) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.1(3) . . ?
C15 C14 H14 119.5 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C11 C16 H16 120.3 . . ?
C15 C16 C11 119.4(3) . . ?
C15 C16 H16 120.3 . . ?
N2 C17 P2 123.6(3) . . ?
N2 C17 C18 106.5(3) . . ?
C18 C17 P2 129.7(3) . . ?
C17 C18 H18 126.0 . . ?
C17 C18 C19 108.1(3) . . ?
C19 C18 H18 126.0 . . ?
C18 C19 H19 126.7 . . ?
C20 C19 C18 106.6(3) . . ?
C20 C19 H19 126.7 . . ?
N2 C20 C19 108.1(3) . . ?
N2 C20 H20 126.0 . . ?
C19 C20 H20 126.0 . . ?
C22 C21 P2 121.5(3) . . ?
C22 C21 C26 118.8(3) . . ?
C26 C21 P2 119.6(3) . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.6(4) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.9(4) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.1(4) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 119.9(4) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 120.7(4) . . ?
C21 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C28 C27 P2 120.1(3) . . ?
C32 C27 P2 120.6(3) . . ?
C32 C27 C28 119.2(3) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.3(3) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(4) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.2(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.4(4) . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 119.8(4) . . ?
C27 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?

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 C1 N1 31.4(3) . . . . ?
Pt1 P1 C1 C2 -150.3(3) . . . . ?
Pt1 P1 C5 C6 169.9(3) . . . . ?
Pt1 P1 C5 C10 -17.5(3) . . . . ?
Pt1 P1 C11 C12 -101.8(2) . . . . ?
Pt1 P1 C11 C16 79.9(3) . . . . ?
Pt1 P2 C17 N2 -2.5(3) . . . . ?
Pt1 P2 C17 C18 173.3(3) . . . . ?
Pt1 P2 C21 C22 -4.9(3) . . . . ?
Pt1 P2 C21 C26 172.7(3) . . . . ?
Pt1 P2 C27 C28 -84.6(3) . . . . ?
Pt1 P2 C27 C32 93.3(3) . . . . ?
P1 C1 C2 C3 -178.4(3) . . . . ?
P1 C5 C6 C7 176.4(3) . . . . ?
P1 C5 C10 C9 -175.8(3) . . . . ?
P1 C11 C12 C13 -175.9(2) . . . . ?
P1 C11 C16 C15 175.5(3) . . . . ?
P2 C17 C18 C19 -178.0(3) . . . . ?
P2 C21 C22 C23 178.3(3) . . . . ?
P2 C21 C26 C25 -177.4(3) . . . . ?
P2 C27 C28 C29 177.8(3) . . . . ?
P2 C27 C32 C31 -176.7(3) . . . . ?
N1 C1 C2 C3 0.0(4) . . . . ?
N2 C17 C18 C19 -1.7(4) . . . . ?
C1 P1 C5 C6 45.4(3) . . . . ?
C1 P1 C5 C10 -141.9(3) . . . . ?
C1 P1 C11 C12 18.1(3) . . . . ?
C1 P1 C11 C16 -160.2(3) . . . . ?
C1 N1 C4 C3 0.3(4) . . . . ?
C1 C2 C3 C4 0.1(4) . . . . ?
C2 C3 C4 N1 -0.2(4) . . . . ?
C4 N1 C1 P1 178.5(3) . . . . ?
C4 N1 C1 C2 -0.2(4) . . . . ?
C5 P1 C1 N1 160.3(3) . . . . ?
C5 P1 C1 C2 -21.4(4) . . . . ?
C5 P1 C11 C12 131.7(3) . . . . ?
C5 P1 C11 C16 -46.6(3) . . . . ?
C5 C6 C7 C8 -1.9(6) . . . . ?
C6 C5 C10 C9 -3.1(6) . . . . ?
C6 C7 C8 C9 -0.5(7) . . . . ?
C7 C8 C9 C10 1.1(7) . . . . ?
C8 C9 C10 C5 0.7(6) . . . . ?
C10 C5 C6 C7 3.7(6) . . . . ?
C11 P1 C1 N1 -93.1(3) . . . . ?
C11 P1 C1 C2 85.2(4) . . . . ?
C11 P1 C5 C6 -64.0(3) . . . . ?
C11 P1 C5 C10 108.6(3) . . . . ?
C11 C12 C13 C14 0.1(5) . . . . ?
C12 C11 C16 C15 -2.8(5) . . . . ?
C12 C13 C14 C15 -2.1(5) . . . . ?
C13 C14 C15 C16 1.6(5) . . . . ?
C14 C15 C16 C11 0.9(5) . . . . ?
C16 C11 C12 C13 2.4(5) . . . . ?
C17 P2 C21 C22 -126.5(3) . . . . ?
C17 P2 C21 C26 51.2(3) . . . . ?
C17 P2 C27 C28 38.0(3) . . . . ?
C17 P2 C27 C32 -144.1(3) . . . . ?
C17 N2 C20 C19 0.2(4) . . . . ?
C17 C18 C19 C20 1.8(4) . . . . ?
C18 C19 C20 N2 -1.2(4) . . . . ?
C20 N2 C17 P2 177.6(2) . . . . ?
C20 N2 C17 C18 0.9(4) . . . . ?
C21 P2 C17 N2 120.2(3) . . . . ?
C21 P2 C17 C18 -64.0(4) . . . . ?
C21 P2 C27 C28 148.7(3) . . . . ?
C21 P2 C27 C32 -33.4(3) . . . . ?
C21 C22 C23 C24 -1.6(6) . . . . ?
C22 C21 C26 C25 0.4(6) . . . . ?
C22 C23 C24 C25 1.7(6) . . . . ?
C23 C24 C25 C26 -0.8(6) . . . . ?
C24 C25 C26 C21 -0.3(7) . . . . ?
C26 C21 C22 C23 0.6(5) . . . . ?
C27 P2 C17 N2 -132.1(3) . . . . ?
C27 P2 C17 C18 43.7(4) . . . . ?
C27 P2 C21 C22 127.2(3) . . . . ?
C27 P2 C21 C26 -55.2(3) . . . . ?
C27 C28 C29 C30 -0.2(5) . . . . ?
C28 C27 C32 C31 1.2(5) . . . . ?
C28 C29 C30 C31 -0.5(6) . . . . ?
C29 C30 C31 C32 1.6(6) . . . . ?
C30 C31 C32 C27 -2.0(6) . . . . ?
C32 C27 C28 C29 -0.1(5) . . . . ?

_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_jfvii5557
_database_code_depnum_ccdc_archive 'CCDC 2143692'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2022-01-21 deposited with the CCDC.	2022-05-04 downloaded from the CCDC.
;
_audit_creation_date             2021-08-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H29 Cl N2 P2 Pt Si'
_chemical_formula_sum            'C33 H29 Cl N2 P2 Pt Si'
_chemical_formula_weight         774.15
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      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                   9.6243(4)
_cell_length_b                   13.5652(5)
_cell_length_c                   23.5677(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.8830(10)
_cell_angle_gamma                90
_cell_volume                     3047.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9008
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      30.479
_cell_measurement_theta_min      2.302
_shelx_estimated_absorpt_T_max   0.418
_shelx_estimated_absorpt_T_min   0.245
_exptl_absorpt_coefficient_mu    4.862
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.2188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1187 before and 0.0622 after correction.
The Ratio of minimum to maximum transmission is 0.5053.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.402
_exptl_crystal_size_mid          0.381
_exptl_crystal_size_min          0.217
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            113502
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.511
_diffrn_reflns_theta_min         1.736
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker QUEST PHOTON-III'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8257
_reflns_number_total             9286
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.981
_refine_diff_density_min         -1.374
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         9286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0222
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0084P)²+5.1505P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0431
_refine_ls_wR_factor_ref         0.0443
_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 Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C23(H23),
  C24(H24), C25(H25), C26(H26), C27(H27), C29(H29), C30(H30), C31(H31),
 C32(H32), C33(H33)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.30528(2) 0.77035(2) 0.57169(2) 0.00964(2) Uani 1 1 d . . . . .
Cl1 Cl 0.05667(5) 0.74199(4) 0.56896(2) 0.01648(10) Uani 1 1 d . . . . .
P1 P 0.36827(5) 0.71712(4) 0.66296(2) 0.01066(10) Uani 1 1 d . . . . .
P2 P 0.31256(5) 0.76699(4) 0.47592(2) 0.01060(9) Uani 1 1 d . . . . .
Si1 Si 0.52559(6) 0.82894(4) 0.57893(3) 0.01180(11) Uani 1 1 d . . . . .
N1 N 0.62697(18) 0.76238(13) 0.63569(8) 0.0132(3) Uani 1 1 d . . . . .
N2 N 0.58745(18) 0.80776(14) 0.51198(8) 0.0141(3) Uani 1 1 d . . . . .
C1 C 0.5556(3) 0.96078(17) 0.59676(11) 0.0222(5) Uani 1 1 d . . . . .
H1A H 0.507897 1.001562 0.565703 0.033 Uiso 1 1 calc R U . . .
H1B H 0.656484 0.974662 0.601567 0.033 Uiso 1 1 calc R U . . .
H1C H 0.518394 0.975930 0.632436 0.033 Uiso 1 1 calc R U . . .
C2 C 0.7678(2) 0.75469(17) 0.65443(10) 0.0171(4) Uani 1 1 d . . . . .
H2 H 0.840521 0.781934 0.635821 0.021 Uiso 1 1 calc R U . . .
C3 C 0.7870(2) 0.70127(18) 0.70442(11) 0.0202(5) Uani 1 1 d . . . . .
H3 H 0.874590 0.684666 0.726014 0.024 Uiso 1 1 calc R U . . .
C4 C 0.6532(2) 0.67545(18) 0.71798(10) 0.0196(5) Uani 1 1 d . . . . .
H4 H 0.634028 0.638411 0.750220 0.024 Uiso 1 1 calc R U . . .
C5 C 0.5560(2) 0.71416(15) 0.67557(10) 0.0138(4) Uani 1 1 d . . . . .
C6 C 0.3087(2) 0.78810(15) 0.72018(9) 0.0130(4) Uani 1 1 d . . . . .
C7 C 0.4005(3) 0.84331(18) 0.75815(11) 0.0209(5) Uani 1 1 d . . . . .
H7 H 0.498750 0.837514 0.757741 0.025 Uiso 1 1 calc R U . . .
C8 C 0.3502(3) 0.90696(19) 0.79673(11) 0.0272(6) Uani 1 1 d . . . . .
H8 H 0.413778 0.944945 0.822310 0.033 Uiso 1 1 calc R U . . .
C9 C 0.2068(3) 0.91503(18) 0.79788(11) 0.0246(5) Uani 1 1 d . . . . .
H9 H 0.172044 0.958734 0.824114 0.030 Uiso 1 1 calc R U . . .
C10 C 0.1144(3) 0.85891(19) 0.76050(10) 0.0219(5) Uani 1 1 d . . . . .
H10 H 0.016395 0.863562 0.761755 0.026 Uiso 1 1 calc R U . . .
C11 C 0.1642(2) 0.79609(17) 0.72133(10) 0.0176(4) Uani 1 1 d . . . . .
H11 H 0.100455 0.758728 0.695460 0.021 Uiso 1 1 calc R U . . .
C12 C 0.3120(2) 0.59088(15) 0.67130(10) 0.0136(4) Uani 1 1 d . . . . .
C13 C 0.2977(2) 0.55180(17) 0.72482(10) 0.0180(4) Uani 1 1 d . . . . .
H13 H 0.314189 0.592112 0.758019 0.022 Uiso 1 1 calc R U . . .
C14 C 0.2591(3) 0.45350(18) 0.72959(12) 0.0230(5) Uani 1 1 d . . . . .
H14 H 0.248779 0.426810 0.766043 0.028 Uiso 1 1 calc R U . . .
C15 C 0.2359(3) 0.39453(17) 0.68109(12) 0.0235(5) Uani 1 1 d . . . . .
H15 H 0.209836 0.327453 0.684485 0.028 Uiso 1 1 calc R U . . .
C16 C 0.2504(3) 0.43295(17) 0.62778(11) 0.0218(5) Uani 1 1 d . . . . .
H16 H 0.234917 0.392160 0.594754 0.026 Uiso 1 1 calc R U . . .
C17 C 0.2875(2) 0.53103(16) 0.62262(10) 0.0172(4) Uani 1 1 d . . . . .
H17 H 0.296348 0.557572 0.585988 0.021 Uiso 1 1 calc R U . . .
C18 C 0.7150(2) 0.82249(17) 0.49320(10) 0.0178(4) Uani 1 1 d . . . . .
H18 H 0.800182 0.837585 0.517022 0.021 Uiso 1 1 calc R U . . .
C19 C 0.7004(2) 0.81204(17) 0.43488(10) 0.0188(4) Uani 1 1 d . . . . .
H19 H 0.772773 0.818185 0.411430 0.023 Uiso 1 1 calc R U . . .
C20 C 0.5577(2) 0.79040(16) 0.41599(10) 0.0174(4) Uani 1 1 d . . . . .
H20 H 0.516579 0.779138 0.377548 0.021 Uiso 1 1 calc R U . . .
C21 C 0.4895(2) 0.78870(14) 0.46365(9) 0.0133(4) Uani 1 1 d . . . . .
C22 C 0.1957(2) 0.84470(15) 0.42832(10) 0.0136(4) Uani 1 1 d . . . . .
C23 C 0.1327(2) 0.92413(17) 0.45191(10) 0.0187(5) Uani 1 1 d . . . . .
H23 H 0.150256 0.935831 0.491996 0.022 Uiso 1 1 calc R U . . .
C24 C 0.0436(3) 0.98672(18) 0.41678(12) 0.0234(5) Uani 1 1 d . . . . .
H24 H 0.000491 1.041044 0.432869 0.028 Uiso 1 1 calc R U . . .
C25 C 0.0183(3) 0.96933(19) 0.35822(12) 0.0256(5) Uani 1 1 d . . . . .
H25 H -0.042644 1.011730 0.334265 0.031 Uiso 1 1 calc R U . . .
C26 C 0.0815(3) 0.89027(19) 0.33456(11) 0.0249(5) Uani 1 1 d . . . . .
H26 H 0.064053 0.878781 0.294449 0.030 Uiso 1 1 calc R U . . .
C27 C 0.1706(2) 0.82774(17) 0.36950(10) 0.0190(5) Uani 1 1 d . . . . .
H27 H 0.214147 0.773704 0.353283 0.023 Uiso 1 1 calc R U . . .
C28 C 0.2726(2) 0.64052(15) 0.45416(9) 0.0125(4) Uani 1 1 d . . . . .
C29 C 0.1339(2) 0.60719(16) 0.45084(10) 0.0162(4) Uani 1 1 d . . . . .
H29 H 0.060303 0.652479 0.454353 0.019 Uiso 1 1 calc R U . . .
C30 C 0.1047(2) 0.50770(17) 0.44238(10) 0.0185(4) Uani 1 1 d . . . . .
H30 H 0.010702 0.484994 0.439794 0.022 Uiso 1 1 calc R U . . .
C31 C 0.2119(3) 0.44128(16) 0.43768(10) 0.0199(5) Uani 1 1 d . . . . .
H31 H 0.191431 0.373028 0.432885 0.024 Uiso 1 1 calc R U . . .
C32 C 0.3486(3) 0.47412(16) 0.43995(11) 0.0196(5) Uani 1 1 d . . . . .
H32 H 0.421503 0.428546 0.435790 0.024 Uiso 1 1 calc R U . . .
C33 C 0.3798(2) 0.57366(16) 0.44832(10) 0.0159(4) Uani 1 1 d . . . . .
H33 H 0.473872 0.596009 0.450039 0.019 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 Cl1 2.4156(5) . ?
Pt1 P1 2.2712(5) . ?
Pt1 P2 2.2682(5) . ?
Pt1 Si1 2.2488(6) . ?
P1 C5 1.790(2) . ?
P1 C6 1.813(2) . ?
P1 C12 1.815(2) . ?
P2 C21 1.790(2) . ?
P2 C22 1.813(2) . ?
P2 C28 1.816(2) . ?
Si1 N1 1.7886(19) . ?
Si1 N2 1.784(2) . ?
Si1 C1 1.851(2) . ?
N1 C2 1.371(3) . ?
N1 C5 1.398(3) . ?
N2 C18 1.376(3) . ?
N2 C21 1.399(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2 0.9500 . ?
C2 C3 1.374(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.413(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(3) . ?
C6 C7 1.388(3) . ?
C6 C11 1.399(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.389(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.388(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.390(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.389(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(3) . ?
C12 C17 1.399(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.388(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.370(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.416(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.377(3) . ?
C22 C23 1.389(3) . ?
C22 C27 1.393(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.395(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.388(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.388(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.393(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.401(3) . ?
C28 C33 1.395(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.387(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.385(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.384(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.391(3) . ?
C33 H33 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 Pt1 Cl1 96.276(19) . . ?
P2 Pt1 Cl1 97.814(19) . . ?
P2 Pt1 P1 153.561(19) . . ?
Si1 Pt1 Cl1 168.10(2) . . ?
Si1 Pt1 P1 85.07(2) . . ?
Si1 Pt1 P2 85.70(2) . . ?
C5 P1 Pt1 107.25(8) . . ?
C5 P1 C6 107.64(10) . . ?
C5 P1 C12 105.68(10) . . ?
C6 P1 Pt1 117.72(7) . . ?
C6 P1 C12 106.93(10) . . ?
C12 P1 Pt1 110.95(7) . . ?
C21 P2 Pt1 108.50(7) . . ?
C21 P2 C22 109.10(10) . . ?
C21 P2 C28 106.19(10) . . ?
C22 P2 Pt1 120.19(8) . . ?
C22 P2 C28 106.58(10) . . ?
C28 P2 Pt1 105.41(7) . . ?
N1 Si1 Pt1 106.87(6) . . ?
N1 Si1 C1 105.41(10) . . ?
N2 Si1 Pt1 107.55(6) . . ?
N2 Si1 N1 111.48(9) . . ?
N2 Si1 C1 107.20(11) . . ?
C1 Si1 Pt1 118.36(8) . . ?
C2 N1 Si1 133.88(16) . . ?
C2 N1 C5 107.51(18) . . ?
C5 N1 Si1 118.18(14) . . ?
C18 N2 Si1 132.99(16) . . ?
C18 N2 C21 107.24(18) . . ?
C21 N2 Si1 118.69(14) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2 125.5 . . ?
N1 C2 C3 109.1(2) . . ?
C3 C2 H2 125.5 . . ?
C2 C3 H3 126.1 . . ?
C2 C3 C4 107.8(2) . . ?
C4 C3 H3 126.1 . . ?
C3 C4 H4 126.5 . . ?
C5 C4 C3 106.9(2) . . ?
C5 C4 H4 126.5 . . ?
N1 C5 P1 116.94(15) . . ?
C4 C5 P1 134.37(18) . . ?
C4 C5 N1 108.67(19) . . ?
C7 C6 P1 121.89(17) . . ?
C7 C6 C11 119.5(2) . . ?
C11 C6 P1 118.17(16) . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.6(2) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 119.9(2) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.7(2) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.5(2) . . ?
C11 C10 H10 119.7 . . ?
C6 C11 H11 120.2 . . ?
C10 C11 C6 119.7(2) . . ?
C10 C11 H11 120.2 . . ?
C13 C12 P1 121.69(17) . . ?
C13 C12 C17 119.7(2) . . ?
C17 C12 P1 118.57(17) . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.9(2) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0(2) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.3(2) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.0(2) . . ?
C17 C16 H16 120.0 . . ?
C12 C17 H17 120.0 . . ?
C16 C17 C12 120.1(2) . . ?
C16 C17 H17 120.0 . . ?
N2 C18 H18 125.2 . . ?
C19 C18 N2 109.5(2) . . ?
C19 C18 H18 125.2 . . ?
C18 C19 H19 126.3 . . ?
C18 C19 C20 107.4(2) . . ?
C20 C19 H19 126.3 . . ?
C19 C20 H20 126.3 . . ?
C21 C20 C19 107.3(2) . . ?
C21 C20 H20 126.3 . . ?
N2 C21 P2 116.65(16) . . ?
C20 C21 P2 134.83(18) . . ?
C20 C21 N2 108.52(19) . . ?
C23 C22 P2 118.10(17) . . ?
C23 C22 C27 120.0(2) . . ?
C27 C22 P2 121.85(17) . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.1(2) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(2) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.3(2) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.1(2) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 H27 120.1 . . ?
C26 C27 C22 119.8(2) . . ?
C26 C27 H27 120.1 . . ?
C29 C28 P2 118.91(16) . . ?
C33 C28 P2 120.76(16) . . ?
C33 C28 C29 119.77(19) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 C28 119.6(2) . . ?
C30 C29 H29 120.2 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.4(2) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.1(2) . . ?
C32 C31 H31 119.9 . . ?
C31 C32 H32 119.9 . . ?
C31 C32 C33 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C28 C33 H33 120.1 . . ?
C32 C33 C28 119.8(2) . . ?
C32 C33 H33 120.1 . . ?

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 C5 N1 13.41(17) . . . . ?
Pt1 P1 C5 C4 -168.2(2) . . . . ?
Pt1 P1 C6 C7 -110.00(18) . . . . ?
Pt1 P1 C6 C11 62.31(18) . . . . ?
Pt1 P1 C12 C13 -159.54(16) . . . . ?
Pt1 P1 C12 C17 22.78(19) . . . . ?
Pt1 P2 C21 N2 -2.79(17) . . . . ?
Pt1 P2 C21 C20 176.3(2) . . . . ?
Pt1 P2 C22 C23 18.0(2) . . . . ?
Pt1 P2 C22 C27 -163.30(16) . . . . ?
Pt1 P2 C28 C29 74.51(18) . . . . ?
Pt1 P2 C28 C33 -96.92(18) . . . . ?
Pt1 Si1 N1 C2 168.87(19) . . . . ?
Pt1 Si1 N1 C5 -19.69(17) . . . . ?
Pt1 Si1 N2 C18 -175.4(2) . . . . ?
Pt1 Si1 N2 C21 18.16(17) . . . . ?
P1 C6 C7 C8 171.5(2) . . . . ?
P1 C6 C11 C10 -172.65(18) . . . . ?
P1 C12 C13 C14 -177.67(18) . . . . ?
P1 C12 C17 C16 177.16(18) . . . . ?
P2 C22 C23 C24 179.08(18) . . . . ?
P2 C22 C27 C26 -179.12(19) . . . . ?
P2 C28 C29 C30 -170.80(18) . . . . ?
P2 C28 C33 C32 170.52(18) . . . . ?
Si1 N1 C2 C3 173.25(17) . . . . ?
Si1 N1 C5 P1 4.1(2) . . . . ?
Si1 N1 C5 C4 -174.70(15) . . . . ?
Si1 N2 C18 C19 -168.33(17) . . . . ?
Si1 N2 C21 P2 -10.2(2) . . . . ?
Si1 N2 C21 C20 170.55(15) . . . . ?
N1 Si1 N2 C18 -58.6(2) . . . . ?
N1 Si1 N2 C21 135.01(15) . . . . ?
N1 C2 C3 C4 -0.7(3) . . . . ?
N2 Si1 N1 C2 51.6(2) . . . . ?
N2 Si1 N1 C5 -136.94(16) . . . . ?
N2 C18 C19 C20 0.3(3) . . . . ?
C1 Si1 N1 C2 -64.4(2) . . . . ?
C1 Si1 N1 C5 107.08(17) . . . . ?
C1 Si1 N2 C18 56.3(2) . . . . ?
C1 Si1 N2 C21 -110.11(17) . . . . ?
C2 N1 C5 P1 177.60(15) . . . . ?
C2 N1 C5 C4 -1.2(2) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
C3 C4 C5 P1 -177.74(19) . . . . ?
C3 C4 C5 N1 0.7(3) . . . . ?
C5 P1 C6 C7 11.2(2) . . . . ?
C5 P1 C6 C11 -176.46(17) . . . . ?
C5 P1 C12 C13 84.5(2) . . . . ?
C5 P1 C12 C17 -93.15(19) . . . . ?
C5 N1 C2 C3 1.2(2) . . . . ?
C6 P1 C5 N1 -114.17(17) . . . . ?
C6 P1 C5 C4 64.2(3) . . . . ?
C6 P1 C12 C13 -30.0(2) . . . . ?
C6 P1 C12 C17 152.37(17) . . . . ?
C6 C7 C8 C9 0.6(4) . . . . ?
C7 C6 C11 C10 -0.2(3) . . . . ?
C7 C8 C9 C10 0.3(4) . . . . ?
C8 C9 C10 C11 -1.1(4) . . . . ?
C9 C10 C11 C6 1.0(4) . . . . ?
C11 C6 C7 C8 -0.7(4) . . . . ?
C12 P1 C5 N1 131.84(16) . . . . ?
C12 P1 C5 C4 -49.8(3) . . . . ?
C12 P1 C6 C7 124.39(19) . . . . ?
C12 P1 C6 C11 -63.30(19) . . . . ?
C12 C13 C14 C15 0.4(4) . . . . ?
C13 C12 C17 C16 -0.6(3) . . . . ?
C13 C14 C15 C16 -0.2(4) . . . . ?
C14 C15 C16 C17 -0.4(4) . . . . ?
C15 C16 C17 C12 0.8(4) . . . . ?
C17 C12 C13 C14 0.0(3) . . . . ?
C18 N2 C21 P2 -179.80(15) . . . . ?
C18 N2 C21 C20 0.9(2) . . . . ?
C18 C19 C20 C21 0.2(3) . . . . ?
C19 C20 C21 P2 -179.80(18) . . . . ?
C19 C20 C21 N2 -0.7(2) . . . . ?
C21 P2 C22 C23 -108.18(19) . . . . ?
C21 P2 C22 C27 70.6(2) . . . . ?
C21 P2 C28 C29 -170.49(17) . . . . ?
C21 P2 C28 C33 18.1(2) . . . . ?
C21 N2 C18 C19 -0.8(3) . . . . ?
C22 P2 C21 N2 129.81(16) . . . . ?
C22 P2 C21 C20 -51.1(2) . . . . ?
C22 P2 C28 C29 -54.3(2) . . . . ?
C22 P2 C28 C33 134.31(18) . . . . ?
C22 C23 C24 C25 0.0(4) . . . . ?
C23 C22 C27 C26 -0.4(3) . . . . ?
C23 C24 C25 C26 -0.2(4) . . . . ?
C24 C25 C26 C27 0.2(4) . . . . ?
C25 C26 C27 C22 0.2(4) . . . . ?
C27 C22 C23 C24 0.3(3) . . . . ?
C28 P2 C21 N2 -115.68(16) . . . . ?
C28 P2 C21 C20 63.4(2) . . . . ?
C28 P2 C22 C23 137.55(18) . . . . ?
C28 P2 C22 C27 -43.7(2) . . . . ?
C28 C29 C30 C31 0.5(4) . . . . ?
C29 C28 C33 C32 -0.8(3) . . . . ?
C29 C30 C31 C32 -1.6(4) . . . . ?
C30 C31 C32 C33 1.5(4) . . . . ?
C31 C32 C33 C28 -0.3(4) . . . . ?
C33 C28 C29 C30 0.7(3) . . . . ?

_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_nksi43
_database_code_depnum_ccdc_archive 'CCDC 2143700'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2022-01-21 deposited with the CCDC.	2022-05-04 downloaded from the CCDC.
;
_audit_creation_date             2021-05-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H29 Cl N2 P2 Pd Si'
_chemical_formula_sum            'C33 H29 Cl N2 P2 Pd Si'
_chemical_formula_weight         685.46
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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      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                   9.6594(3)
_cell_length_b                   13.5514(4)
_cell_length_c                   23.5488(6)
_cell_angle_alpha                90
_cell_angle_beta                 97.8380(10)
_cell_angle_gamma                90
_cell_volume                     3053.70(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9191
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      30.459
_cell_measurement_theta_min      2.606
_shelx_estimated_absorpt_T_max   0.841
_shelx_estimated_absorpt_T_min   0.683
_exptl_absorpt_coefficient_mu    0.865
_exptl_absorpt_correction_T_max  0.3368
_exptl_absorpt_correction_T_min  0.2480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1780 before and 0.0834 after correction.
The Ratio of minimum to maximum transmission is 0.7357.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.478
_exptl_crystal_size_mid          0.452
_exptl_crystal_size_min          0.207
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            93214
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         1.738
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker QUEST PHOTON-III'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6120
_reflns_number_total             7031
_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       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         7031
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0247
_refine_ls_restrained_S_all      1.064
_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)+(0.0104P)²+3.5149P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0502
_refine_ls_wR_factor_ref         0.0524
_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 Aromatic/amide H refined with riding coordinates:
 C23(H23), C4(H4), C29(H29), C2(H2), C15(H15), C3(H3), C33(H33), C8(H8),
 C6(H6), C24(H24), C19(H19), C18(H18), C30(H30), C27(H27), C7(H7), C26(H26),
 C17(H17), C11(H11), C25(H25), C14(H14), C21(H21), C13(H13), C31(H31), C20(H20),
  C32(H32), C12(H12)
2.b Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.69705(2) 0.77026(2) 0.42800(2) 0.01024(4) Uani 1 1 d . . . . .
Cl1 Cl 0.94514(4) 0.74620(3) 0.43025(2) 0.01696(9) Uani 1 1 d . . . . .
P2 P 0.68509(5) 0.76749(3) 0.52405(2) 0.01130(9) Uani 1 1 d . . . . .
P1 P 0.62968(5) 0.71717(3) 0.33628(2) 0.01169(9) Uani 1 1 d . . . . .
Si Si 0.47682(5) 0.82733(4) 0.42095(2) 0.01209(10) Uani 1 1 d . . . . .
N1 N 0.37395(15) 0.76167(11) 0.36434(7) 0.0137(3) Uani 1 1 d . . . . .
N2 N 0.41215(15) 0.80629(11) 0.48734(7) 0.0144(3) Uani 1 1 d . . . . .
C1 C 0.44284(18) 0.71388(13) 0.32373(8) 0.0142(4) Uani 1 1 d . . . . .
C23 C 0.8644(2) 0.60782(14) 0.54815(8) 0.0166(4) Uani 1 1 d . . . . .
H23 H 0.937204 0.653470 0.544363 0.020 Uiso 1 1 calc R U . . .
C4 C 0.23306(19) 0.75464(14) 0.34619(8) 0.0172(4) Uani 1 1 d . . . . .
H4 H 0.161642 0.782074 0.365346 0.021 Uiso 1 1 calc R U . . .
C28 C 0.80059(19) 0.84538(13) 0.57171(8) 0.0136(3) Uani 1 1 d . . . . .
C9 C 0.50856(18) 0.78821(12) 0.53623(8) 0.0129(4) Uani 1 1 d . . . . .
C22 C 0.72633(19) 0.64080(13) 0.54517(8) 0.0129(3) Uani 1 1 d . . . . .
C29 C 0.8265(2) 0.82815(15) 0.63055(9) 0.0193(4) Uani 1 1 d . . . . .
H29 H 0.783944 0.773738 0.646811 0.023 Uiso 1 1 calc R U . . .
C10 C 0.68960(19) 0.78790(13) 0.27903(8) 0.0141(4) Uani 1 1 d . . . . .
C2 C 0.3442(2) 0.67630(15) 0.28152(9) 0.0197(4) Uani 1 1 d . . . . .
H2 H 0.361797 0.640017 0.248738 0.024 Uiso 1 1 calc R U . . .
C15 C 0.8330(2) 0.79631(15) 0.27803(8) 0.0183(4) Uani 1 1 d . . . . .
H15 H 0.896429 0.758955 0.303986 0.022 Uiso 1 1 calc R U . . .
C3 C 0.2116(2) 0.70199(15) 0.29625(9) 0.0203(4) Uani 1 1 d . . . . .
H3 H 0.123632 0.685595 0.275229 0.024 Uiso 1 1 calc R U . . .
C16 C 0.68673(18) 0.59070(13) 0.32857(8) 0.0144(4) Uani 1 1 d . . . . .
C33 C 0.8636(2) 0.92514(14) 0.54835(9) 0.0192(4) Uani 1 1 d . . . . .
H33 H 0.846355 0.936928 0.508241 0.023 Uiso 1 1 calc R U . . .
C8 C 0.4387(2) 0.79036(14) 0.58337(9) 0.0177(4) Uani 1 1 d . . . . .
H8 H 0.478460 0.780179 0.622090 0.021 Uiso 1 1 calc R U . . .
C6 C 0.28383(19) 0.82023(14) 0.50516(9) 0.0179(4) Uani 1 1 d . . . . .
H6 H 0.199459 0.834382 0.480798 0.022 Uiso 1 1 calc R U . . .
C24 C 0.8949(2) 0.50837(14) 0.55663(9) 0.0190(4) Uani 1 1 d . . . . .
H24 H 0.988844 0.486170 0.558968 0.023 Uiso 1 1 calc R U . . .
C19 C 0.7655(2) 0.39449(14) 0.31983(10) 0.0236(4) Uani 1 1 d . . . . .
H19 H 0.792546 0.327500 0.316789 0.028 Uiso 1 1 calc R U . . .
C18 C 0.7410(2) 0.45234(15) 0.27109(10) 0.0232(4) Uani 1 1 d . . . . .
H18 H 0.751468 0.425003 0.234771 0.028 Uiso 1 1 calc R U . . .
C30 C 0.9152(2) 0.89106(16) 0.66547(9) 0.0255(5) Uani 1 1 d . . . . .
H30 H 0.933019 0.879588 0.705596 0.031 Uiso 1 1 calc R U . . .
C27 C 0.6206(2) 0.57315(14) 0.55152(8) 0.0164(4) Uani 1 1 d . . . . .
H27 H 0.526822 0.595080 0.550271 0.020 Uiso 1 1 calc R U . . .
C5 C 0.4530(2) 0.95989(14) 0.40331(10) 0.0226(4) Uani 1 1 d . . . . .
H5A H 0.503273 0.999680 0.434230 0.034 Uiso 1 1 calc R U . . .
H5B H 0.353259 0.976251 0.398995 0.034 Uiso 1 1 calc R U . . .
H5C H 0.489746 0.973918 0.367380 0.034 Uiso 1 1 calc R U . . .
C7 C 0.2967(2) 0.81053(14) 0.56353(9) 0.0193(4) Uani 1 1 d . . . . .
H7 H 0.223500 0.816291 0.586500 0.023 Uiso 1 1 calc R U . . .
C26 C 0.6525(2) 0.47355(14) 0.55969(9) 0.0207(4) Uani 1 1 d . . . . .
H26 H 0.580375 0.427561 0.563894 0.025 Uiso 1 1 calc R U . . .
C17 C 0.7010(2) 0.55061(15) 0.27513(9) 0.0190(4) Uani 1 1 d . . . . .
H17 H 0.683590 0.590160 0.241608 0.023 Uiso 1 1 calc R U . . .
C11 C 0.5980(2) 0.84313(15) 0.24075(9) 0.0222(4) Uani 1 1 d . . . . .
H11 H 0.500072 0.837105 0.240857 0.027 Uiso 1 1 calc R U . . .
C25 C 0.7890(2) 0.44138(14) 0.56170(9) 0.0203(4) Uani 1 1 d . . . . .
H25 H 0.810068 0.373183 0.566564 0.024 Uiso 1 1 calc R U . . .
C14 C 0.8833(2) 0.85940(15) 0.23901(9) 0.0218(4) Uani 1 1 d . . . . .
H14 H 0.981037 0.864328 0.238033 0.026 Uiso 1 1 calc R U . . .
C21 C 0.7124(2) 0.53210(14) 0.37753(9) 0.0182(4) Uani 1 1 d . . . . .
H21 H 0.703714 0.559434 0.414026 0.022 Uiso 1 1 calc R U . . .
C13 C 0.7915(2) 0.91525(15) 0.20149(9) 0.0246(5) Uani 1 1 d . . . . .
H13 H 0.826411 0.958958 0.175272 0.029 Uiso 1 1 calc R U . . .
C31 C 0.9773(2) 0.97005(16) 0.64175(10) 0.0264(5) Uani 1 1 d . . . . .
H31 H 1.037901 1.012532 0.665714 0.032 Uiso 1 1 calc R U . . .
C20 C 0.7508(2) 0.43366(15) 0.37313(10) 0.0230(4) Uani 1 1 d . . . . .
H20 H 0.766859 0.393500 0.406444 0.028 Uiso 1 1 calc R U . . .
C32 C 0.9520(2) 0.98783(15) 0.58340(10) 0.0240(4) Uani 1 1 d . . . . .
H32 H 0.994579 1.042455 0.567347 0.029 Uiso 1 1 calc R U . . .
C12 C 0.6491(2) 0.90711(16) 0.20234(10) 0.0276(5) Uani 1 1 d . . . . .
H12 H 0.586150 0.945253 0.176674 0.033 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
Pd1 Cl1 2.4119(4) . ?
Pd1 P2 2.2808(5) . ?
Pd1 P1 2.2855(5) . ?
Pd1 Si 2.2483(5) . ?
P2 C28 1.8102(19) . ?
P2 C9 1.7895(18) . ?
P2 C22 1.8164(18) . ?
P1 C1 1.7891(18) . ?
P1 C10 1.8121(19) . ?
P1 C16 1.8169(19) . ?
Si N1 1.7876(16) . ?
Si N2 1.7838(16) . ?
Si C5 1.851(2) . ?
N1 C1 1.396(2) . ?
N1 C4 1.373(2) . ?
N2 C9 1.400(2) . ?
N2 C6 1.375(2) . ?
C1 C2 1.377(3) . ?
C23 H23 0.9500 . ?
C23 C22 1.399(3) . ?
C23 C24 1.388(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.367(3) . ?
C28 C29 1.394(3) . ?
C28 C33 1.390(3) . ?
C9 C8 1.376(3) . ?
C22 C27 1.396(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.395(3) . ?
C10 C15 1.394(3) . ?
C10 C11 1.392(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.415(3) . ?
C15 H15 0.9500 . ?
C15 C14 1.390(3) . ?
C3 H3 0.9500 . ?
C16 C17 1.395(3) . ?
C16 C21 1.394(3) . ?
C33 H33 0.9500 . ?
C33 C32 1.392(3) . ?
C8 H8 0.9500 . ?
C8 C7 1.414(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.369(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.386(3) . ?
C19 H19 0.9500 . ?
C19 C18 1.383(3) . ?
C19 C20 1.388(3) . ?
C18 H18 0.9500 . ?
C18 C17 1.393(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.381(3) . ?
C27 H27 0.9500 . ?
C27 C26 1.392(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C7 H7 0.9500 . ?
C26 H26 0.9500 . ?
C26 C25 1.383(3) . ?
C17 H17 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.391(3) . ?
C25 H25 0.9500 . ?
C14 H14 0.9500 . ?
C14 C13 1.388(3) . ?
C21 H21 0.9500 . ?
C21 C20 1.392(3) . ?
C13 H13 0.9500 . ?
C13 C12 1.382(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.384(3) . ?
C20 H20 0.9500 . ?
C32 H32 0.9500 . ?
C12 H12 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
P2 Pd1 Cl1 99.239(17) . . ?
P2 Pd1 P1 152.334(18) . . ?
P1 Pd1 Cl1 97.596(16) . . ?
Si Pd1 Cl1 167.265(17) . . ?
Si Pd1 P2 84.463(18) . . ?
Si Pd1 P1 83.909(18) . . ?
C28 P2 Pd1 119.67(6) . . ?
C28 P2 C22 106.73(8) . . ?
C9 P2 Pd1 109.54(6) . . ?
C9 P2 C28 109.23(8) . . ?
C9 P2 C22 106.42(8) . . ?
C22 P2 Pd1 104.37(6) . . ?
C1 P1 Pd1 108.34(6) . . ?
C1 P1 C10 107.92(9) . . ?
C1 P1 C16 105.84(8) . . ?
C10 P1 Pd1 117.25(6) . . ?
C10 P1 C16 107.02(8) . . ?
C16 P1 Pd1 109.89(6) . . ?
N1 Si Pd1 107.94(5) . . ?
N1 Si C5 106.03(9) . . ?
N2 Si Pd1 108.74(5) . . ?
N2 Si N1 110.40(7) . . ?
N2 Si C5 107.70(9) . . ?
C5 Si Pd1 115.97(7) . . ?
C1 N1 Si 118.24(12) . . ?
C4 N1 Si 133.89(13) . . ?
C4 N1 C1 107.42(15) . . ?
C9 N2 Si 118.39(12) . . ?
C6 N2 Si 133.13(14) . . ?
C6 N2 C9 107.42(15) . . ?
N1 C1 P1 116.08(13) . . ?
C2 C1 P1 135.35(15) . . ?
C2 C1 N1 108.55(16) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 119.99(18) . . ?
N1 C4 H4 125.3 . . ?
C3 C4 N1 109.34(17) . . ?
C3 C4 H4 125.3 . . ?
C29 C28 P2 122.05(14) . . ?
C33 C28 P2 118.30(15) . . ?
C33 C28 C29 119.64(18) . . ?
N2 C9 P2 115.93(13) . . ?
C8 C9 P2 135.69(15) . . ?
C8 C9 N2 108.38(16) . . ?
C23 C22 P2 119.18(14) . . ?
C27 C22 P2 120.92(14) . . ?
C27 C22 C23 119.42(17) . . ?
C28 C29 H29 120.1 . . ?
C28 C29 C30 119.76(19) . . ?
C30 C29 H29 120.1 . . ?
C15 C10 P1 118.36(14) . . ?
C11 C10 P1 121.80(14) . . ?
C11 C10 C15 119.37(17) . . ?
C1 C2 H2 126.5 . . ?
C1 C2 C3 106.99(17) . . ?
C3 C2 H2 126.5 . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 119.93(19) . . ?
C14 C15 H15 120.0 . . ?
C4 C3 C2 107.67(17) . . ?
C4 C3 H3 126.2 . . ?
C2 C3 H3 126.2 . . ?
C17 C16 P1 121.75(15) . . ?
C21 C16 P1 118.49(14) . . ?
C21 C16 C17 119.73(18) . . ?
C28 C33 H33 119.8 . . ?
C28 C33 C32 120.4(2) . . ?
C32 C33 H33 119.8 . . ?
C9 C8 H8 126.3 . . ?
C9 C8 C7 107.33(18) . . ?
C7 C8 H8 126.3 . . ?
N2 C6 H6 125.3 . . ?
C7 C6 N2 109.34(17) . . ?
C7 C6 H6 125.3 . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.22(18) . . ?
C25 C24 H24 119.9 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.43(18) . . ?
C20 C19 H19 119.8 . . ?
C19 C18 H18 119.9 . . ?
C19 C18 C17 120.17(19) . . ?
C17 C18 H18 119.9 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.1(2) . . ?
C31 C30 H30 120.0 . . ?
C22 C27 H27 120.0 . . ?
C26 C27 C22 120.02(18) . . ?
C26 C27 H27 120.0 . . ?
Si C5 H5A 109.5 . . ?
Si C5 H5B 109.5 . . ?
Si C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C8 C7 H7 126.2 . . ?
C6 C7 C8 107.53(17) . . ?
C6 C7 H7 126.2 . . ?
C27 C26 H26 119.9 . . ?
C25 C26 C27 120.16(18) . . ?
C25 C26 H26 119.9 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.76(19) . . ?
C18 C17 H17 120.1 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.37(19) . . ?
C12 C11 H11 119.8 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.17(18) . . ?
C26 C25 H25 119.9 . . ?
C15 C14 H14 119.8 . . ?
C13 C14 C15 120.40(19) . . ?
C13 C14 H14 119.8 . . ?
C16 C21 H21 119.9 . . ?
C20 C21 C16 120.22(19) . . ?
C20 C21 H21 119.9 . . ?
C14 C13 H13 120.1 . . ?
C12 C13 C14 119.84(19) . . ?
C12 C13 H13 120.1 . . ?
C30 C31 H31 119.7 . . ?
C30 C31 C32 120.58(19) . . ?
C32 C31 H31 119.7 . . ?
C19 C20 C21 119.7(2) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C33 C32 H32 120.2 . . ?
C31 C32 C33 119.56(19) . . ?
C31 C32 H32 120.2 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.1(2) . . ?
C13 C12 H12 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
Pd1 P2 C28 C29 -161.75(13) . . . . ?
Pd1 P2 C28 C33 18.84(17) . . . . ?
Pd1 P2 C9 N2 -2.63(14) . . . . ?
Pd1 P2 C9 C8 176.66(18) . . . . ?
Pd1 P2 C22 C23 73.31(15) . . . . ?
Pd1 P2 C22 C27 -98.75(15) . . . . ?
Pd1 P1 C1 N1 13.04(15) . . . . ?
Pd1 P1 C1 C2 -168.80(19) . . . . ?
Pd1 P1 C10 C15 60.70(16) . . . . ?
Pd1 P1 C10 C11 -111.37(16) . . . . ?
Pd1 P1 C16 C17 -158.87(14) . . . . ?
Pd1 P1 C16 C21 23.11(16) . . . . ?
Pd1 Si N1 C1 -19.68(14) . . . . ?
Pd1 Si N1 C4 169.11(16) . . . . ?
Pd1 Si N2 C9 18.47(14) . . . . ?
Pd1 Si N2 C6 -175.01(16) . . . . ?
P2 C28 C29 C30 -179.30(15) . . . . ?
P2 C28 C33 C32 179.23(15) . . . . ?
P2 C9 C8 C7 -179.58(16) . . . . ?
P2 C22 C27 C26 170.87(15) . . . . ?
P1 C1 C2 C3 -177.91(16) . . . . ?
P1 C10 C15 C14 -172.30(15) . . . . ?
P1 C10 C11 C12 171.16(16) . . . . ?
P1 C16 C17 C18 -178.05(15) . . . . ?
P1 C16 C21 C20 177.39(15) . . . . ?
Si N1 C1 P1 4.19(19) . . . . ?
Si N1 C1 C2 -174.45(13) . . . . ?
Si N1 C4 C3 173.30(15) . . . . ?
Si N2 C9 P2 -10.29(18) . . . . ?
Si N2 C9 C8 170.24(12) . . . . ?
Si N2 C6 C7 -168.16(15) . . . . ?
N1 Si N2 C9 136.71(13) . . . . ?
N1 Si N2 C6 -56.77(19) . . . . ?
N1 C1 C2 C3 0.3(2) . . . . ?
N1 C4 C3 C2 -1.2(2) . . . . ?
N2 Si N1 C1 -138.41(13) . . . . ?
N2 Si N1 C4 50.39(19) . . . . ?
N2 C9 C8 C7 -0.3(2) . . . . ?
N2 C6 C7 C8 0.4(2) . . . . ?
C1 P1 C10 C15 -176.71(15) . . . . ?
C1 P1 C10 C11 11.21(19) . . . . ?
C1 P1 C16 C17 84.35(17) . . . . ?
C1 P1 C16 C21 -93.66(16) . . . . ?
C1 N1 C4 C3 1.4(2) . . . . ?
C1 C2 C3 C4 0.5(2) . . . . ?
C23 C22 C27 C26 -1.2(3) . . . . ?
C23 C24 C25 C26 -1.5(3) . . . . ?
C4 N1 C1 P1 177.56(12) . . . . ?
C4 N1 C1 C2 -1.1(2) . . . . ?
C28 P2 C9 N2 130.22(13) . . . . ?
C28 P2 C9 C8 -50.5(2) . . . . ?
C28 P2 C22 C23 -54.32(17) . . . . ?
C28 P2 C22 C27 133.63(16) . . . . ?
C28 C29 C30 C31 -0.1(3) . . . . ?
C28 C33 C32 C31 0.3(3) . . . . ?
C9 P2 C28 C29 70.91(17) . . . . ?
C9 P2 C28 C33 -108.49(16) . . . . ?
C9 P2 C22 C23 -170.87(15) . . . . ?
C9 P2 C22 C27 17.07(18) . . . . ?
C9 N2 C6 C7 -0.6(2) . . . . ?
C9 C8 C7 C6 -0.1(2) . . . . ?
C22 P2 C28 C29 -43.76(18) . . . . ?
C22 P2 C28 C33 136.84(15) . . . . ?
C22 P2 C9 N2 -114.91(14) . . . . ?
C22 P2 C9 C8 64.4(2) . . . . ?
C22 C23 C24 C25 0.5(3) . . . . ?
C22 C27 C26 C25 0.2(3) . . . . ?
C29 C28 C33 C32 -0.2(3) . . . . ?
C29 C30 C31 C32 0.2(3) . . . . ?
C10 P1 C1 N1 -114.85(14) . . . . ?
C10 P1 C1 C2 63.3(2) . . . . ?
C10 P1 C16 C17 -30.56(18) . . . . ?
C10 P1 C16 C21 151.42(15) . . . . ?
C10 C15 C14 C13 0.9(3) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C15 C10 C11 C12 -0.8(3) . . . . ?
C15 C14 C13 C12 -0.9(3) . . . . ?
C16 P1 C1 N1 130.85(14) . . . . ?
C16 P1 C1 C2 -51.0(2) . . . . ?
C16 P1 C10 C15 -63.20(16) . . . . ?
C16 P1 C10 C11 124.72(16) . . . . ?
C16 C21 C20 C19 1.0(3) . . . . ?
C33 C28 C29 C30 0.1(3) . . . . ?
C6 N2 C9 P2 179.98(13) . . . . ?
C6 N2 C9 C8 0.5(2) . . . . ?
C24 C23 C22 P2 -171.37(15) . . . . ?
C24 C23 C22 C27 0.8(3) . . . . ?
C19 C18 C17 C16 0.5(3) . . . . ?
C18 C19 C20 C21 -0.6(3) . . . . ?
C30 C31 C32 C33 -0.3(3) . . . . ?
C27 C26 C25 C24 1.2(3) . . . . ?
C5 Si N1 C1 105.20(14) . . . . ?
C5 Si N1 C4 -66.00(19) . . . . ?
C5 Si N2 C9 -107.95(14) . . . . ?
C5 Si N2 C6 58.6(2) . . . . ?
C17 C16 C21 C20 -0.7(3) . . . . ?
C11 C10 C15 C14 0.0(3) . . . . ?
C14 C13 C12 C11 0.0(3) . . . . ?
C21 C16 C17 C18 -0.1(3) . . . . ?
C20 C19 C18 C17 -0.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
