# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_ag_Jordan_Rose_RJ_M_10_0m
_database_code_depnum_ccdc_archive 'CCDC 2149899'
loop_
_audit_author_name
_audit_author_address
'Rose Jordan'
;University of Cologne
Germany
;
_audit_update_record             
;
2022-02-03 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H26 As N Pt'
_chemical_formula_weight         730.58

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0015 0.0009 '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 0.0030 0.0019 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.2758 1.3314 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -0.6812 5.7081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.0056(6)
_cell_length_b                   9.5784(4)
_cell_length_c                   20.6896(9)
_cell_angle_alpha                90
_cell_angle_beta                 96.219(2)
_cell_angle_gamma                90
_cell_volume                     2759.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9521
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      21.95

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_F_000             1416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    3.409
_shelx_estimated_absorpt_T_min   0.822
_shelx_estimated_absorpt_T_max   0.905
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.56086
_diffrn_radiation_type           AgK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            52922
_diffrn_reflns_av_unetI/netI     0.0311
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.851
_diffrn_reflns_theta_max         21.983
_diffrn_reflns_theta_full        19.665
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6871
_reflns_number_gt                6329
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0199P)²+1.3319P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6871
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0495
_refine_ls_wR_factor_gt          0.0483
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.20419(2) 0.51099(2) 0.73367(2) 0.01126(3) Uani 1 1 d . . . . .
As1 As 0.28249(2) 0.61028(2) 0.65172(2) 0.01250(5) Uani 1 1 d . . . . .
N1 N 0.13870(15) 0.4114(2) 0.80204(10) 0.0135(4) Uani 1 1 d . . . . .
C1 C 0.06354(18) 0.3277(3) 0.78189(13) 0.0161(5) Uani 1 1 d . . . . .
C2 C 0.0252(2) 0.2434(3) 0.82733(13) 0.0200(5) Uani 1 1 d . . . . .
H2 H -0.027730 0.183758 0.814627 0.024 Uiso 1 1 calc R U . . .
C31 C 0.3355(2) 0.5325(3) 0.52345(14) 0.0240(6) Uani 1 1 d . . . . .
H31 H 0.337583 0.629706 0.514622 0.029 Uiso 1 1 calc R U . . .
C3 C 0.0657(2) 0.2479(3) 0.89159(13) 0.0216(6) Uani 1 1 d . . . . .
H3 H 0.040793 0.189433 0.922860 0.026 Uiso 1 1 calc R U . . .
C32 C 0.3651(2) 0.4371(3) 0.47898(15) 0.0288(6) Uani 1 1 d . . . . .
H32 H 0.386085 0.469085 0.439406 0.035 Uiso 1 1 calc R U . . .
C4 C 0.1419(2) 0.3364(3) 0.91087(13) 0.0199(5) Uani 1 1 d . . . . .
H4 H 0.168798 0.339745 0.955015 0.024 Uiso 1 1 calc R U . . .
C33 C 0.3640(2) 0.2957(3) 0.49246(14) 0.0256(6) Uani 1 1 d . . . . .
H33 H 0.384995 0.230581 0.462370 0.031 Uiso 1 1 calc R U . . .
C5 C 0.17840(18) 0.4206(3) 0.86416(12) 0.0151(5) Uani 1 1 d . . . . .
C34 C 0.3324(2) 0.2491(3) 0.54959(14) 0.0229(6) Uani 1 1 d . . . . .
H34 H 0.332366 0.151919 0.558864 0.028 Uiso 1 1 calc R U . . .
C35 C 0.30083(19) 0.3432(3) 0.59351(13) 0.0180(5) Uani 1 1 d . . . . .
H35 H 0.277885 0.310398 0.632313 0.022 Uiso 1 1 calc R U . . .
C6 C 0.25892(18) 0.5197(2) 0.87328(12) 0.0143(5) Uani 1 1 d . . . . .
C7 C 0.28498(17) 0.5863(2) 0.81584(12) 0.0135(5) Uani 1 1 d . . . . .
C8 C 0.35794(18) 0.6862(3) 0.82552(12) 0.0165(5) Uani 1 1 d . . . . .
H8 H 0.374751 0.737298 0.789059 0.020 Uiso 1 1 calc R U . . .
C9 C 0.40698(19) 0.7138(3) 0.88632(13) 0.0190(5) Uani 1 1 d . . . . .
H9 H 0.456948 0.781363 0.890648 0.023 Uiso 1 1 calc R U . . .
C10 C 0.3827(2) 0.6424(3) 0.94078(13) 0.0198(5) Uani 1 1 d . . . . .
H10 H 0.417527 0.658300 0.982109 0.024 Uiso 1 1 calc R U . . .
C21 C 0.1147(2) 1.0210(3) 0.58545(17) 0.0295(7) Uani 1 1 d . . . . .
H21 H 0.079979 1.103951 0.573574 0.035 Uiso 1 1 calc R U . . .
C11 C 0.3074(2) 0.5479(3) 0.93442(12) 0.0173(5) Uani 1 1 d . . . . .
H11 H 0.288726 0.502139 0.971793 0.021 Uiso 1 1 calc R U . . .
C22 C 0.1236(2) 0.9180(3) 0.53970(15) 0.0255(6) Uani 1 1 d . . . . .
H22 H 0.094111 0.930034 0.496506 0.031 Uiso 1 1 calc R U . . .
C12 C 0.03327(18) 0.3380(2) 0.71156(12) 0.0159(5) Uani 1 1 d . . . . .
C23 C 0.17536(19) 0.7966(3) 0.55633(13) 0.0198(5) Uani 1 1 d . . . . .
H23 H 0.181723 0.726481 0.524585 0.024 Uiso 1 1 calc R U . . .
C24 C 0.41529(18) 0.6674(3) 0.67073(12) 0.0142(5) Uani 1 1 d . . . . .
C25 C 0.4790(2) 0.5701(3) 0.70051(14) 0.0222(6) Uani 1 1 d . . . . .
H25 H 0.456672 0.480760 0.711910 0.027 Uiso 1 1 calc R U . . .
C13 C 0.09481(18) 0.4157(2) 0.67457(12) 0.0142(5) Uani 1 1 d . . . . .
C14 C 0.06420(18) 0.4276(3) 0.60814(12) 0.0165(5) Uani 1 1 d . . . . .
H14 H 0.103398 0.477061 0.581223 0.020 Uiso 1 1 calc R U . . .
C15 C -0.0219(2) 0.3693(3) 0.57988(13) 0.0199(5) Uani 1 1 d . . . . .
H15 H -0.040257 0.380198 0.534607 0.024 Uiso 1 1 calc R U . . .
C26 C 0.5757(2) 0.6038(3) 0.71360(15) 0.0266(6) Uani 1 1 d . . . . .
H26 H 0.619386 0.537933 0.734469 0.032 Uiso 1 1 calc R U . . .
C16 C -0.08046(19) 0.2958(3) 0.61771(13) 0.0215(5) Uani 1 1 d . . . . .
H16 H -0.139425 0.257421 0.598604 0.026 Uiso 1 1 calc R U . . .
C27 C 0.6082(2) 0.7339(3) 0.69614(14) 0.0257(6) Uani 1 1 d . . . . .
H27 H 0.674319 0.756809 0.705102 0.031 Uiso 1 1 calc R U . . .
C17 C -0.05251(19) 0.2785(3) 0.68360(13) 0.0197(5) Uani 1 1 d . . . . .
H17 H -0.091553 0.226313 0.709634 0.024 Uiso 1 1 calc R U . . .
C28 C 0.5451(2) 0.8299(3) 0.66587(14) 0.0245(6) Uani 1 1 d . . . . .
H28 H 0.567803 0.918589 0.653847 0.029 Uiso 1 1 calc R U . . .
C18 C 0.21750(18) 0.7789(3) 0.61956(13) 0.0164(5) Uani 1 1 d . . . . .
C29 C 0.44812(19) 0.7969(3) 0.65291(13) 0.0188(5) Uani 1 1 d . . . . .
H29 H 0.404579 0.862884 0.631925 0.023 Uiso 1 1 calc R U . . .
C30 C 0.30272(19) 0.4859(3) 0.58078(13) 0.0169(5) Uani 1 1 d . . . . .
C19 C 0.2074(2) 0.8816(3) 0.66623(14) 0.0215(5) Uani 1 1 d . . . . .
H19 H 0.235060 0.868577 0.709785 0.026 Uiso 1 1 calc R U . . .
C20 C 0.1567(2) 1.0029(3) 0.64880(17) 0.0288(7) Uani 1 1 d . . . . .
H20 H 0.150840 1.073632 0.680295 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 N1 2.009(2) . ?
Pt1 C13 2.066(2) . ?
Pt1 C7 2.068(2) . ?
Pt1 As1 2.3204(3) . ?
As1 C30 1.935(3) . ?
As1 C18 1.936(2) . ?
As1 C24 1.938(2) . ?
N1 C5 1.347(3) . ?
N1 C1 1.352(3) . ?
C1 C2 1.391(4) . ?
C1 C12 1.474(3) . ?
C2 C3 1.388(4) . ?
C2 H2 0.9500 . ?
C31 C30 1.391(4) . ?
C31 C32 1.392(4) . ?
C31 H31 0.9500 . ?
C3 C4 1.388(4) . ?
C3 H3 0.9500 . ?
C32 C33 1.384(4) . ?
C32 H32 0.9500 . ?
C4 C5 1.397(4) . ?
C4 H4 0.9500 . ?
C33 C34 1.380(4) . ?
C33 H33 0.9500 . ?
C5 C6 1.470(4) . ?
C34 C35 1.387(4) . ?
C34 H34 0.9500 . ?
C35 C30 1.393(3) . ?
C35 H35 0.9500 . ?
C6 C11 1.396(4) . ?
C6 C7 1.431(3) . ?
C7 C8 1.398(3) . ?
C8 C9 1.392(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(4) . ?
C10 H10 0.9500 . ?
C21 C22 1.382(5) . ?
C21 C20 1.388(5) . ?
C21 H21 0.9500 . ?
C11 H11 0.9500 . ?
C22 C23 1.394(4) . ?
C22 H22 0.9500 . ?
C12 C17 1.398(4) . ?
C12 C13 1.423(3) . ?
C23 C18 1.386(4) . ?
C23 H23 0.9500 . ?
C24 C29 1.386(3) . ?
C24 C25 1.388(4) . ?
C25 C26 1.389(4) . ?
C25 H25 0.9500 . ?
C13 C14 1.399(3) . ?
C14 C15 1.397(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(4) . ?
C15 H15 0.9500 . ?
C26 C27 1.388(4) . ?
C26 H26 0.9500 . ?
C16 C17 1.387(4) . ?
C16 H16 0.9500 . ?
C27 C28 1.378(4) . ?
C27 H27 0.9500 . ?
C17 H17 0.9500 . ?
C28 C29 1.392(4) . ?
C28 H28 0.9500 . ?
C18 C19 1.397(4) . ?
C29 H29 0.9500 . ?
C19 C20 1.388(4) . ?
C19 H19 0.9500 . ?
C20 H20 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
N1 Pt1 C13 80.86(9) . . ?
N1 Pt1 C7 80.65(9) . . ?
C13 Pt1 C7 160.98(10) . . ?
N1 Pt1 As1 175.83(6) . . ?
C13 Pt1 As1 97.32(7) . . ?
C7 Pt1 As1 101.42(7) . . ?
C30 As1 C18 110.78(11) . . ?
C30 As1 C24 96.41(11) . . ?
C18 As1 C24 103.85(10) . . ?
C30 As1 Pt1 114.94(8) . . ?
C18 As1 Pt1 110.56(8) . . ?
C24 As1 Pt1 119.12(7) . . ?
C5 N1 C1 124.1(2) . . ?
C5 N1 Pt1 117.90(17) . . ?
C1 N1 Pt1 117.64(17) . . ?
N1 C1 C2 118.7(2) . . ?
N1 C1 C12 113.3(2) . . ?
C2 C1 C12 128.0(2) . . ?
C3 C2 C1 118.8(2) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C30 C31 C32 120.2(3) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C4 C3 C2 121.1(2) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C33 C32 C31 119.9(3) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C3 C4 C5 118.8(2) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
N1 C5 C4 118.5(2) . . ?
N1 C5 C6 113.4(2) . . ?
C4 C5 C6 128.1(2) . . ?
C33 C34 C35 120.4(3) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C30 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C30 C35 H35 120.0 . . ?
C11 C6 C7 121.6(2) . . ?
C11 C6 C5 122.2(2) . . ?
C7 C6 C5 116.3(2) . . ?
C8 C7 C6 115.8(2) . . ?
C8 C7 Pt1 133.06(19) . . ?
C6 C7 Pt1 111.18(17) . . ?
C9 C8 C7 122.7(2) . . ?
C9 C8 H8 118.6 . . ?
C7 C8 H8 118.6 . . ?
C8 C9 C10 119.9(2) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 119.7(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C10 C11 C6 120.2(2) . . ?
C10 C11 H11 119.9 . . ?
C6 C11 H11 119.9 . . ?
C21 C22 C23 120.6(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C17 C12 C13 122.3(2) . . ?
C17 C12 C1 121.6(2) . . ?
C13 C12 C1 116.1(2) . . ?
C18 C23 C22 119.5(3) . . ?
C18 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C29 C24 C25 120.2(2) . . ?
C29 C24 As1 122.50(19) . . ?
C25 C24 As1 117.23(19) . . ?
C24 C25 C26 119.8(3) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C14 C13 C12 115.6(2) . . ?
C14 C13 Pt1 132.39(19) . . ?
C12 C13 Pt1 111.47(17) . . ?
C15 C14 C13 122.5(2) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C27 C26 C25 119.9(3) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C15 C16 C17 119.6(2) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
C28 C27 C26 120.3(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C16 C17 C12 119.8(2) . . ?
C16 C17 H17 120.1 . . ?
C12 C17 H17 120.1 . . ?
C27 C28 C29 120.0(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C23 C18 C19 120.1(2) . . ?
C23 C18 As1 124.2(2) . . ?
C19 C18 As1 115.44(19) . . ?
C24 C29 C28 119.8(3) . . ?
C24 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C31 C30 C35 119.4(2) . . ?
C31 C30 As1 122.58(19) . . ?
C35 C30 As1 117.0(2) . . ?
C20 C19 C18 119.8(3) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C19 C20 C21 120.2(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C1 C2 -1.3(4) . . . . ?
Pt1 N1 C1 C2 171.50(18) . . . . ?
C5 N1 C1 C12 179.5(2) . . . . ?
Pt1 N1 C1 C12 -7.7(3) . . . . ?
N1 C1 C2 C3 -0.2(4) . . . . ?
C12 C1 C2 C3 178.9(2) . . . . ?
C1 C2 C3 C4 1.2(4) . . . . ?
C30 C31 C32 C33 -1.4(5) . . . . ?
C2 C3 C4 C5 -0.7(4) . . . . ?
C31 C32 C33 C34 0.8(5) . . . . ?
C1 N1 C5 C4 1.7(4) . . . . ?
Pt1 N1 C5 C4 -171.03(18) . . . . ?
C1 N1 C5 C6 -179.7(2) . . . . ?
Pt1 N1 C5 C6 7.5(3) . . . . ?
C3 C4 C5 N1 -0.7(4) . . . . ?
C3 C4 C5 C6 -179.0(3) . . . . ?
C32 C33 C34 C35 0.6(4) . . . . ?
C33 C34 C35 C30 -1.4(4) . . . . ?
N1 C5 C6 C11 177.7(2) . . . . ?
C4 C5 C6 C11 -3.9(4) . . . . ?
N1 C5 C6 C7 -2.2(3) . . . . ?
C4 C5 C6 C7 176.2(2) . . . . ?
C11 C6 C7 C8 -3.4(3) . . . . ?
C5 C6 C7 C8 176.5(2) . . . . ?
C11 C6 C7 Pt1 176.39(19) . . . . ?
C5 C6 C7 Pt1 -3.8(3) . . . . ?
C6 C7 C8 C9 4.0(4) . . . . ?
Pt1 C7 C8 C9 -175.8(2) . . . . ?
C7 C8 C9 C10 -1.2(4) . . . . ?
C8 C9 C10 C11 -2.4(4) . . . . ?
C9 C10 C11 C6 2.9(4) . . . . ?
C7 C6 C11 C10 0.1(4) . . . . ?
C5 C6 C11 C10 -179.8(2) . . . . ?
C20 C21 C22 C23 -0.8(5) . . . . ?
N1 C1 C12 C17 -168.9(2) . . . . ?
C2 C1 C12 C17 11.9(4) . . . . ?
N1 C1 C12 C13 9.1(3) . . . . ?
C2 C1 C12 C13 -170.1(3) . . . . ?
C21 C22 C23 C18 0.6(4) . . . . ?
C29 C24 C25 C26 1.3(4) . . . . ?
As1 C24 C25 C26 178.1(2) . . . . ?
C17 C12 C13 C14 -0.6(4) . . . . ?
C1 C12 C13 C14 -178.6(2) . . . . ?
C17 C12 C13 Pt1 171.9(2) . . . . ?
C1 C12 C13 Pt1 -6.1(3) . . . . ?
C12 C13 C14 C15 1.1(4) . . . . ?
Pt1 C13 C14 C15 -169.4(2) . . . . ?
C13 C14 C15 C16 -0.4(4) . . . . ?
C24 C25 C26 C27 -0.8(4) . . . . ?
C14 C15 C16 C17 -1.0(4) . . . . ?
C25 C26 C27 C28 0.0(5) . . . . ?
C15 C16 C17 C12 1.5(4) . . . . ?
C13 C12 C17 C16 -0.7(4) . . . . ?
C1 C12 C17 C16 177.2(2) . . . . ?
C26 C27 C28 C29 0.3(4) . . . . ?
C22 C23 C18 C19 0.5(4) . . . . ?
C22 C23 C18 As1 174.8(2) . . . . ?
C25 C24 C29 C28 -1.0(4) . . . . ?
As1 C24 C29 C28 -177.7(2) . . . . ?
C27 C28 C29 C24 0.2(4) . . . . ?
C32 C31 C30 C35 0.7(4) . . . . ?
C32 C31 C30 As1 168.5(2) . . . . ?
C34 C35 C30 C31 0.7(4) . . . . ?
C34 C35 C30 As1 -167.8(2) . . . . ?
C23 C18 C19 C20 -1.4(4) . . . . ?
As1 C18 C19 C20 -176.1(2) . . . . ?
C18 C19 C20 C21 1.2(5) . . . . ?
C22 C21 C20 C19 -0.1(5) . . . . ?

_refine_diff_density_max         1.065
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.111


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_mo_Jordan_RJ_M_14_R_0ma
_database_code_depnum_ccdc_archive 'CCDC 2194357'
loop_
_audit_author_name
_audit_author_address
'Rose Jordan'
;University of Cologne
Germany
;
_audit_update_record             
;
2022-08-02 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        '[Pt(dba)AsPh3] * 0.5 Et2O * 0.5 CHCl3'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41.50 H30 As Cl1.50 N O0.50 Pt'
_chemical_formula_weight         873.85

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'
As As 0.0499 2.0058 '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'
Pt Pt -1.7033 8.3905 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.2312(16)
_cell_length_b                   10.5042(5)
_cell_length_c                   26.597(2)
_cell_angle_alpha                90
_cell_angle_beta                 118.864(2)
_cell_angle_gamma                90
_cell_volume                     6662.6(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    109(2)
_cell_measurement_reflns_used    9280
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      30.45

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_F_000             3412
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    5.352
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4455
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      109(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            85756
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         2.119
_diffrn_reflns_theta_max         30.516
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             10116
_reflns_number_gt                9318
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0163P)²+12.8826P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.000116(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10116
_refine_ls_number_parameters     457
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0199
_refine_ls_wR_factor_ref         0.0464
_refine_ls_wR_factor_gt          0.0454
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.48176(16) 0.2306(4) 0.24733(18) 0.0437(9) Uani 0.5 1 d . . P . .
N1 N 0.44045(6) 0.19590(15) 0.45399(7) 0.0197(3) Uani 1 1 d . . . . .
C1 C 0.38403(8) 0.01984(18) 0.37757(8) 0.0209(3) Uani 1 1 d . . . . .
Cl2 Cl 0.05072(6) 0.13893(16) 0.29663(8) 0.0606(4) Uani 0.5 1 d . . P . .
C2 C 0.35853(9) -0.0807(2) 0.33975(9) 0.0258(4) Uani 1 1 d . . . . .
H2 H 0.319019 -0.090337 0.322718 0.031 Uiso 1 1 calc R U . . .
Cl3 Cl 0.03011(7) 0.05867(16) 0.31832(6) 0.0531(3) Uani 0.5 1 d . . P . .
C3 C 0.38911(9) -0.1688(2) 0.32572(9) 0.0287(4) Uani 1 1 d . . . . .
H3 H 0.369659 -0.236255 0.299934 0.034 Uiso 1 1 calc R U . . .
C4 C 0.44630(10) -0.1598(2) 0.34832(10) 0.0298(4) Uani 1 1 d . . . . .
H4 H 0.465874 -0.218834 0.337399 0.036 Uiso 1 1 calc R U . . .
C5 C 0.47536(8) -0.0625(2) 0.38765(9) 0.0257(4) Uani 1 1 d . . . . .
C6 C 0.44370(8) 0.02373(19) 0.40111(8) 0.0222(4) Uani 1 1 d . . . . .
C7 C 0.53527(9) -0.0462(2) 0.41597(9) 0.0319(5) Uani 1 1 d . . . . .
H7 H 0.556862 -0.103542 0.406927 0.038 Uiso 1 1 calc R U . . .
C8 C 0.56238(8) 0.0470(2) 0.45495(10) 0.0321(5) Uani 1 1 d . . . . .
H8 H 0.601993 0.053837 0.471912 0.039 Uiso 1 1 calc R U . . .
C9 C 0.53202(8) 0.1357(2) 0.47105(9) 0.0258(4) Uani 1 1 d . . . . .
C10 C 0.47305(8) 0.12000(19) 0.44239(8) 0.0217(3) Uani 1 1 d . . . . .
C18 C 0.36234(8) 0.32015(18) 0.46463(8) 0.0222(4) Uani 1 1 d . . . . .
C14 C 0.53701(10) 0.4119(2) 0.56562(9) 0.0345(5) Uani 1 1 d . . . . .
H14 H 0.575709 0.431848 0.587834 0.041 Uiso 1 1 calc R U . . .
C16 C 0.43902(9) 0.4553(2) 0.54140(9) 0.0290(4) Uani 1 1 d . . . . .
Pt1 Pt 0.35782(2) 0.16563(2) 0.41238(2) 0.01725(3) Uani 1 1 d . . . . .
As1 As 0.26209(2) 0.12044(2) 0.36061(2) 0.01682(4) Uani 1 1 d . . . . .
Cl1 Cl 0.06121(6) 0.06386(15) 0.22961(6) 0.0472(3) Uani 0.5 1 d . . P . .
C11 C 0.55462(8) 0.2323(2) 0.51227(9) 0.0293(4) Uani 1 1 d . . . . .
H11 H 0.594019 0.245516 0.532189 0.035 Uiso 1 1 calc R U . . .
C12 C 0.51979(8) 0.3096(2) 0.52448(9) 0.0270(4) Uani 1 1 d . . . . .
C13 C 0.46134(8) 0.28777(19) 0.49341(8) 0.0217(3) Uani 1 1 d . . . . .
C15 C 0.49859(10) 0.4804(2) 0.57309(10) 0.0344(5) Uani 1 1 d . . . . .
H15 H 0.511478 0.547709 0.600327 0.041 Uiso 1 1 calc R U . . .
C17 C 0.42017(9) 0.35761(18) 0.50063(8) 0.0233(4) Uani 1 1 d . . . . .
C19 C 0.32461(8) 0.39193(19) 0.47405(8) 0.0241(4) Uani 1 1 d . . . . .
H19 H 0.285667 0.374337 0.451982 0.029 Uiso 1 1 calc R U . . .
C20 C 0.34233(9) 0.48959(19) 0.51516(9) 0.0276(4) Uani 1 1 d . . . . .
H20 H 0.314811 0.534497 0.520332 0.033 Uiso 1 1 calc R U . . .
C21 C 0.39774(10) 0.5232(2) 0.54830(9) 0.0324(5) Uani 1 1 d . . . . .
H21 H 0.408096 0.590775 0.575293 0.039 Uiso 1 1 calc R U . . .
C22 C 0.23645(7) 0.09771(17) 0.27910(8) 0.0194(3) Uani 1 1 d . . . . .
C23 C 0.26267(9) 0.17009(19) 0.25539(9) 0.0248(4) Uani 1 1 d . . . . .
H23 H 0.291254 0.228683 0.278668 0.030 Uiso 1 1 calc R U . . .
C24 C 0.24722(10) 0.1571(2) 0.19753(9) 0.0298(4) Uani 1 1 d . . . . .
H24 H 0.264538 0.208428 0.181109 0.036 Uiso 1 1 calc R U . . .
C25 C 0.20655(9) 0.0693(2) 0.16393(9) 0.0299(4) Uani 1 1 d . . . . .
H25 H 0.196326 0.059826 0.124555 0.036 Uiso 1 1 calc R U . . .
C26 C 0.18087(9) -0.0044(2) 0.18747(9) 0.0273(4) Uani 1 1 d . . . . .
H26 H 0.153277 -0.065037 0.164380 0.033 Uiso 1 1 calc R U . . .
C27 C 0.19537(8) 0.01011(18) 0.24524(8) 0.0232(4) Uani 1 1 d . . . . .
H27 H 0.177256 -0.039626 0.261313 0.028 Uiso 1 1 calc R U . . .
C28 C 0.24174(8) -0.03642(18) 0.38407(8) 0.0199(3) Uani 1 1 d . . . . .
C29 C 0.28554(9) -0.1146(2) 0.42148(8) 0.0251(4) Uani 1 1 d . . . . .
H29 H 0.323262 -0.089185 0.434506 0.030 Uiso 1 1 calc R U . . .
C30 C 0.27436(10) -0.2292(2) 0.43982(9) 0.0314(4) Uani 1 1 d . . . . .
H30 H 0.304394 -0.281579 0.465760 0.038 Uiso 1 1 calc R U . . .
C31 C 0.21942(11) -0.2674(2) 0.42032(9) 0.0316(5) Uani 1 1 d . . . . .
H31 H 0.211689 -0.346351 0.432488 0.038 Uiso 1 1 calc R U . . .
C32 C 0.17588(10) -0.1902(2) 0.38308(10) 0.0299(4) Uani 1 1 d . . . . .
H32 H 0.138223 -0.216793 0.369499 0.036 Uiso 1 1 calc R U . . .
C33 C 0.18665(8) -0.07371(19) 0.36524(9) 0.0244(4) Uani 1 1 d . . . . .
H33 H 0.156523 -0.020190 0.340379 0.029 Uiso 1 1 calc R U . . .
C34 C 0.20883(7) 0.24134(17) 0.36178(8) 0.0201(3) Uani 1 1 d . . . . .
C35 C 0.19272(8) 0.23315(19) 0.40389(9) 0.0249(4) Uani 1 1 d . . . . .
H35 H 0.205008 0.163615 0.429974 0.030 Uiso 1 1 calc R U . . .
C36 C 0.15865(9) 0.3266(2) 0.40792(10) 0.0298(4) Uani 1 1 d . . . . .
H36 H 0.147778 0.321304 0.436848 0.036 Uiso 1 1 calc R U . . .
C37 C 0.14060(9) 0.4275(2) 0.36955(11) 0.0330(5) Uani 1 1 d . . . . .
H37 H 0.116906 0.490856 0.371888 0.040 Uiso 1 1 calc R U . . .
C38 C 0.15695(10) 0.4361(2) 0.32797(11) 0.0329(5) Uani 1 1 d . . . . .
H38 H 0.144573 0.505654 0.301902 0.039 Uiso 1 1 calc R U . . .
C39 C 0.19144(9) 0.34356(19) 0.32403(9) 0.0256(4) Uani 1 1 d . . . . .
H39 H 0.203029 0.350249 0.295686 0.031 Uiso 1 1 calc R U . . .
C40 C 0.4200(3) 0.2684(6) 0.2850(2) 0.0480(13) Uani 0.5 1 d . . P . .
H40A H 0.408258 0.242580 0.313038 0.072 Uiso 0.5 1 calc R U P . .
H40B H 0.388539 0.258357 0.246116 0.072 Uiso 0.5 1 calc R U P . .
H40C H 0.431868 0.357681 0.291453 0.072 Uiso 0.5 1 calc R U P . .
C41 C 0.46324(19) 0.1946(4) 0.2912(2) 0.0770(13) Uani 1 1 d . . . . .
H1 H 0.445(2) 0.124(5) 0.286(2) 0.116 Uiso 1 1 d . U . . .
H1A H 0.498(2) 0.204(5) 0.332(2) 0.116 Uiso 1 1 d . U . . .
C42 C 0.5226(3) 0.1492(7) 0.2446(3) 0.0579(16) Uani 0.5 1 d . . P . .
C43 C 0.000000 0.0371(4) 0.250000 0.0650(15) Uani 1 2 d S T P . .
H01C H 0.000000 -0.050(5) 0.250000 0.055(13) Uiso 1 2 d S . P . .


_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
O1 C42 0.903(7) 2_655 ?
O1 O1 0.933(7) 2_655 ?
O1 C42 1.432(7) . ?
O1 C41 1.527(6) . ?
N1 C13 1.334(3) . ?
N1 C10 1.335(2) . ?
N1 Pt1 1.9961(15) . ?
C1 C2 1.391(3) . ?
C1 C6 1.432(3) . ?
C1 Pt1 2.0854(18) . ?
Cl2 Cl3 1.293(2) . ?
Cl2 C43 1.713(3) . ?
Cl2 Cl1 2.091(2) . ?
C2 C3 1.411(3) . ?
Cl3 C43 1.6084(15) . ?
Cl3 Cl1 2.180(2) 2 ?
C3 C4 1.375(3) . ?
C4 C5 1.402(3) . ?
C5 C6 1.411(3) . ?
C5 C7 1.439(3) . ?
C6 C10 1.421(3) . ?
C7 C8 1.356(4) . ?
C8 C9 1.442(3) . ?
C9 C11 1.399(3) . ?
C9 C10 1.416(3) . ?
C18 C19 1.391(3) . ?
C18 C17 1.448(3) . ?
C18 Pt1 2.1015(19) . ?
C14 C15 1.361(4) . ?
C14 C12 1.441(3) . ?
C16 C17 1.398(3) . ?
C16 C21 1.417(3) . ?
C16 C15 1.446(3) . ?
Pt1 As1 2.3348(2) . ?
As1 C28 1.9353(19) . ?
As1 C34 1.9392(18) . ?
As1 C22 1.9450(18) . ?
Cl1 C43 2.0059(14) . ?
C11 C12 1.401(3) . ?
C12 C13 1.414(3) . ?
C13 C17 1.428(3) . ?
C19 C20 1.404(3) . ?
C20 C21 1.376(3) . ?
C22 C23 1.386(3) . ?
C22 C27 1.392(3) . ?
C23 C24 1.392(3) . ?
C24 C25 1.386(3) . ?
C25 C26 1.379(3) . ?
C26 C27 1.398(3) . ?
C28 C33 1.389(3) . ?
C28 C29 1.393(3) . ?
C29 C30 1.387(3) . ?
C30 C31 1.385(3) . ?
C31 C32 1.382(3) . ?
C32 C33 1.394(3) . ?
C34 C39 1.388(3) . ?
C34 C35 1.389(3) . ?
C35 C36 1.390(3) . ?
C36 C37 1.386(3) . ?
C37 C38 1.380(3) . ?
C38 C39 1.390(3) . ?
C40 C41 1.352(8) . ?
C41 C42 1.279(9) 2_655 ?
C42 C42 1.395(16) 2_655 ?

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
C42 O1 O1 102.6(6) 2_655 2_655 ?
C42 O1 C42 69.1(8) 2_655 . ?
O1 O1 C42 38.0(3) 2_655 . ?
C42 O1 C41 56.8(6) 2_655 . ?
O1 O1 C41 127.2(6) 2_655 . ?
C42 O1 C41 116.3(5) . . ?
C13 N1 C10 122.33(16) . . ?
C13 N1 Pt1 119.34(13) . . ?
C10 N1 Pt1 118.29(13) . . ?
C2 C1 C6 113.75(17) . . ?
C2 C1 Pt1 136.07(14) . . ?
C6 C1 Pt1 110.13(13) . . ?
Cl3 Cl2 C43 62.88(11) . . ?
Cl3 Cl2 Cl1 113.70(12) . . ?
C43 Cl2 Cl1 62.72(7) . . ?
C1 C2 C3 122.48(19) . . ?
Cl2 Cl3 C43 71.45(15) . . ?
Cl2 Cl3 Cl1 109.94(12) . 2 ?
C43 Cl3 Cl1 61.79(6) . 2 ?
C4 C3 C2 121.9(2) . . ?
C3 C4 C5 119.23(18) . . ?
C4 C5 C6 117.60(18) . . ?
C4 C5 C7 124.48(19) . . ?
C6 C5 C7 117.9(2) . . ?
C5 C6 C10 117.93(17) . . ?
C5 C6 C1 125.04(19) . . ?
C10 C6 C1 117.01(17) . . ?
C8 C7 C5 123.2(2) . . ?
C7 C8 C9 121.02(19) . . ?
C11 C9 C10 117.51(19) . . ?
C11 C9 C8 127.10(19) . . ?
C10 C9 C8 115.4(2) . . ?
N1 C10 C9 120.90(19) . . ?
N1 C10 C6 114.49(16) . . ?
C9 C10 C6 124.58(18) . . ?
C19 C18 C17 113.31(18) . . ?
C19 C18 Pt1 136.49(15) . . ?
C17 C18 Pt1 110.18(13) . . ?
C15 C14 C12 120.9(2) . . ?
C17 C16 C21 116.9(2) . . ?
C17 C16 C15 118.3(2) . . ?
C21 C16 C15 124.7(2) . . ?
N1 Pt1 C1 80.06(7) . . ?
N1 Pt1 C18 79.62(7) . . ?
C1 Pt1 C18 159.62(8) . . ?
N1 Pt1 As1 176.54(5) . . ?
C1 Pt1 As1 96.48(5) . . ?
C18 Pt1 As1 103.84(6) . . ?
C28 As1 C34 102.68(8) . . ?
C28 As1 C22 104.50(8) . . ?
C34 As1 C22 103.27(8) . . ?
C28 As1 Pt1 113.26(6) . . ?
C34 As1 Pt1 119.22(5) . . ?
C22 As1 Pt1 112.34(5) . . ?
C43 Cl1 Cl2 49.39(9) . . ?
C43 Cl1 Cl3 44.96(5) . 2 ?
Cl2 Cl1 Cl3 85.48(7) . 2 ?
C9 C11 C12 120.73(18) . . ?
C11 C12 C13 117.89(19) . . ?
C11 C12 C14 126.9(2) . . ?
C13 C12 C14 115.2(2) . . ?
N1 C13 C12 120.61(18) . . ?
N1 C13 C17 114.39(16) . . ?
C12 C13 C17 125.00(19) . . ?
C14 C15 C16 122.9(2) . . ?
C16 C17 C13 117.59(19) . . ?
C16 C17 C18 125.97(19) . . ?
C13 C17 C18 116.45(17) . . ?
C18 C19 C20 122.03(19) . . ?
C21 C20 C19 123.0(2) . . ?
C20 C21 C16 118.73(19) . . ?
C23 C22 C27 119.89(17) . . ?
C23 C22 As1 116.95(14) . . ?
C27 C22 As1 123.11(14) . . ?
C22 C23 C24 120.13(19) . . ?
C25 C24 C23 119.9(2) . . ?
C26 C25 C24 120.20(19) . . ?
C25 C26 C27 120.12(19) . . ?
C22 C27 C26 119.70(19) . . ?
C33 C28 C29 119.66(18) . . ?
C33 C28 As1 123.46(14) . . ?
C29 C28 As1 116.88(14) . . ?
C30 C29 C28 120.3(2) . . ?
C31 C30 C29 120.0(2) . . ?
C32 C31 C30 119.7(2) . . ?
C31 C32 C33 120.7(2) . . ?
C28 C33 C32 119.53(19) . . ?
C39 C34 C35 120.07(18) . . ?
C39 C34 As1 119.45(15) . . ?
C35 C34 As1 120.15(14) . . ?
C34 C35 C36 120.07(19) . . ?
C37 C36 C35 119.7(2) . . ?
C38 C37 C36 120.22(19) . . ?
C37 C38 C39 120.4(2) . . ?
C34 C39 C38 119.6(2) . . ?
C42 C41 C40 132.9(5) 2_655 . ?
C42 C41 O1 36.2(3) 2_655 . ?
C40 C41 O1 110.8(4) . . ?
O1 C42 C41 87.0(7) 2_655 2_655 ?
O1 C42 C42 73.7(6) 2_655 2_655 ?
C41 C42 C42 140.2(7) 2_655 2_655 ?
O1 C42 O1 39.5(5) 2_655 . ?
C41 C42 O1 109.7(5) 2_655 . ?
C42 C42 O1 37.2(3) 2_655 . ?
Cl3 C43 Cl3 163.8(3) 2 . ?
Cl3 C43 Cl2 121.5(2) 2 . ?
Cl3 C43 Cl2 45.67(10) . . ?
Cl3 C43 Cl2 45.67(10) 2 2 ?
Cl3 C43 Cl2 121.6(2) . 2 ?
Cl2 C43 Cl2 102.8(3) . 2 ?
Cl3 C43 Cl1 104.40(9) 2 2 ?
Cl3 C43 Cl1 73.26(7) . 2 ?
Cl2 C43 Cl1 101.64(14) . 2 ?
Cl2 C43 Cl1 67.89(10) 2 2 ?
Cl3 C43 Cl1 73.26(7) 2 . ?
Cl3 C43 Cl1 104.40(9) . . ?
Cl2 C43 Cl1 67.89(10) . . ?
Cl2 C43 Cl1 101.64(14) 2 . ?
Cl1 C43 Cl1 163.9(3) 2 . ?

_refine_diff_density_max         0.629
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.088


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Et2O, CHCl3'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_mo_Jordan_RJ_M_15_0m
_database_code_depnum_ccdc_archive 'CCDC 2208288'
loop_
_audit_author_name
_audit_author_address
'Rose Jordan'
;University of Cologne
Germany
;
_audit_update_record             
;
2022-09-20 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT971_mo_Jordan_RJ_M_15_0m 
;
PROBLEM: Check Calcd Resid. Dens.  1.97Ang From C42             4.50 eA-3  
RESPONSE: This residual can be attributed to a disorder of the cocrystallized 
Et2O solvent molecule. Splitting of the atom positions to account for this 
disorder did not lead to a stable refinement and reasonable structure model, 
which is likely due to the solvent molecule being largely unrestrained in its 
conformation and orientation in its position in the lattice.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        '[Pt(dba)SbPh3]'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C82 H62 N2 O Pt2 Sb2'
_chemical_formula_weight         1725.01

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'
Sb Sb -0.5866 1.5461 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   12.5593(16)
_cell_length_b                   13.4535(17)
_cell_length_c                   19.012(2)
_cell_angle_alpha                99.710(4)
_cell_angle_beta                 97.164(4)
_cell_angle_gamma                90.961(5)
_cell_volume                     3139.3(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9722
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      28.26

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_F_000             1668
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    5.345
_shelx_estimated_absorpt_T_min   0.297
_shelx_estimated_absorpt_T_max   0.415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5943
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            146817
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.035
_diffrn_reflns_theta_max         28.288
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.978
_reflns_number_total             15332
_reflns_number_gt                14959
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0180P)²+6.7082P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15332
_refine_ls_number_parameters     804
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0209
_refine_ls_wR_factor_ref         0.0513
_refine_ls_wR_factor_gt          0.0510
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.05520(2) 0.69223(2) 0.64664(2) 0.01036(3) Uani 1 1 d . . . . .
Pt2 Pt 0.59209(2) 0.16482(2) 0.72635(2) 0.01059(3) Uani 1 1 d . . . . .
Sb1 Sb 0.19634(2) 0.81520(2) 0.71547(2) 0.01137(3) Uani 1 1 d . . . . .
O1 O 1.0451(2) 0.1883(2) 0.88384(16) 0.0456(7) Uani 1 1 d . . . . .
N1 N -0.06587(16) 0.60594(15) 0.58799(11) 0.0116(4) Uani 1 1 d . . . . .
Sb2 Sb 0.54904(2) 0.27689(2) 0.83677(2) 0.01200(4) Uani 1 1 d . . . . .
N2 N 0.63344(17) 0.07818(15) 0.63890(11) 0.0134(4) Uani 1 1 d . . . . .
C2A C 0.0063(2) 0.64691(19) 0.80297(14) 0.0175(5) Uani 1 1 d . . . . .
H2A H 0.066243 0.687968 0.827569 0.021 Uiso 1 1 calc R U . . .
C2B C 0.7117(2) 0.04053(19) 0.84398(14) 0.0170(5) Uani 1 1 d . . . . .
H2B H 0.687126 0.083852 0.883004 0.020 Uiso 1 1 calc R U . . .
C1A C -0.01479(19) 0.63728(18) 0.72855(13) 0.0132(4) Uani 1 1 d . . . . .
C1B C 0.68074(19) 0.05710(18) 0.77405(14) 0.0143(4) Uani 1 1 d . . . . .
C3A C -0.0585(2) 0.5978(2) 0.84320(15) 0.0219(5) Uani 1 1 d . . . . .
H3A H -0.039870 0.606148 0.893897 0.026 Uiso 1 1 calc R U . . .
C3B C 0.7789(2) -0.0393(2) 0.85849(15) 0.0190(5) Uani 1 1 d . . . . .
H3B H 0.798785 -0.046991 0.907080 0.023 Uiso 1 1 calc R U . . .
C4A C -0.1481(2) 0.5378(2) 0.81149(15) 0.0212(5) Uani 1 1 d . . . . .
H4A H -0.190603 0.506337 0.840052 0.025 Uiso 1 1 calc R U . . .
C4B C 0.8165(2) -0.1062(2) 0.80441(15) 0.0192(5) Uani 1 1 d . . . . .
H4B H 0.861029 -0.159278 0.815631 0.023 Uiso 1 1 calc R U . . .
C5A C -0.1752(2) 0.52426(19) 0.73615(14) 0.0159(5) Uani 1 1 d . . . . .
C5B C 0.7874(2) -0.09422(19) 0.73213(15) 0.0176(5) Uani 1 1 d . . . . .
C15A C -0.0899(2) 0.58977(18) 0.36962(13) 0.0142(4) Uani 1 1 d . . . . .
H15A H -0.093661 0.585969 0.319019 0.017 Uiso 1 1 calc R U . . .
C15B C 0.5260(2) 0.1565(2) 0.44427(14) 0.0177(5) Uani 1 1 d . . . . .
H15B H 0.499239 0.175017 0.399489 0.021 Uiso 1 1 calc R U . . .
C6A C -0.10779(19) 0.57347(18) 0.69735(13) 0.0139(4) Uani 1 1 d . . . . .
C6B C 0.72146(19) -0.01406(18) 0.71976(14) 0.0148(4) Uani 1 1 d . . . . .
C16A C -0.00427(19) 0.65089(18) 0.41588(13) 0.0136(4) Uani 1 1 d . . . . .
C16B C 0.4998(2) 0.21716(19) 0.50992(13) 0.0152(5) Uani 1 1 d . . . . .
C17A C 0.00123(19) 0.65618(17) 0.49064(13) 0.0120(4) Uani 1 1 d . . . . .
C17B C 0.53821(19) 0.18858(18) 0.57630(13) 0.0129(4) Uani 1 1 d . . . . .
C7A C -0.2662(2) 0.46302(19) 0.69637(14) 0.0173(5) Uani 1 1 d . . . . .
H7A H -0.311980 0.430268 0.722289 0.021 Uiso 1 1 calc R U . . .
C7B C 0.8225(2) -0.1587(2) 0.67147(16) 0.0209(5) Uani 1 1 d . . . . .
H7B H 0.866441 -0.213272 0.680045 0.025 Uiso 1 1 calc R U . . .
C8A C -0.2889(2) 0.45046(19) 0.62366(14) 0.0167(5) Uani 1 1 d . . . . .
H8A H -0.349620 0.409552 0.600086 0.020 Uiso 1 1 calc R U . . .
C8B C 0.7951(2) -0.1445(2) 0.60221(16) 0.0212(5) Uani 1 1 d . . . . .
H8B H 0.819952 -0.189033 0.563927 0.025 Uiso 1 1 calc R U . . .
C9A C -0.22211(19) 0.49837(18) 0.58179(13) 0.0137(4) Uani 1 1 d . . . . .
C9B C 0.7289(2) -0.06257(19) 0.58660(15) 0.0173(5) Uani 1 1 d . . . . .
C19A C 0.1568(2) 0.76516(19) 0.51445(14) 0.0163(5) Uani 1 1 d . . . . .
H19A H 0.212299 0.804493 0.545994 0.020 Uiso 1 1 calc R U . . .
C19B C 0.4566(2) 0.32402(19) 0.64374(13) 0.0149(4) Uani 1 1 d . . . . .
H19B H 0.440396 0.362105 0.687648 0.018 Uiso 1 1 calc R U . . .
C10A C -0.13389(19) 0.55828(17) 0.62119(13) 0.0122(4) Uani 1 1 d . . . . .
C10B C 0.69483(19) -0.00062(18) 0.64698(14) 0.0146(4) Uani 1 1 d . . . . .
C18A C 0.08108(19) 0.71275(18) 0.54338(13) 0.0130(4) Uani 1 1 d . . . . .
C18B C 0.51891(19) 0.23947(18) 0.64571(13) 0.0127(4) Uani 1 1 d . . . . .
C11A C -0.23478(19) 0.48968(18) 0.50664(13) 0.0138(4) Uani 1 1 d . . . . .
H11A H -0.292724 0.449238 0.478566 0.017 Uiso 1 1 calc R U . . .
C11B C 0.6945(2) -0.0395(2) 0.51836(14) 0.0179(5) Uani 1 1 d . . . . .
H11B H 0.715343 -0.080020 0.476756 0.021 Uiso 1 1 calc R U . . .
C12A C -0.16280(19) 0.54008(18) 0.47227(13) 0.0126(4) Uani 1 1 d . . . . .
C12B C 0.6296(2) 0.04299(19) 0.51102(13) 0.0152(5) Uani 1 1 d . . . . .
C13A C -0.07816(18) 0.59933(17) 0.51645(13) 0.0117(4) Uani 1 1 d . . . . .
C13B C 0.60120(19) 0.10130(18) 0.57438(13) 0.0130(4) Uani 1 1 d . . . . .
C14A C -0.1653(2) 0.53760(18) 0.39586(14) 0.0149(4) Uani 1 1 d . . . . .
H14A H -0.220382 0.498965 0.363425 0.018 Uiso 1 1 calc R U . . .
C14B C 0.5874(2) 0.0743(2) 0.44425(14) 0.0179(5) Uani 1 1 d . . . . .
H14B H 0.602686 0.036998 0.399853 0.022 Uiso 1 1 calc R U . . .
C34A C 0.35821(19) 0.77242(18) 0.71288(13) 0.0130(4) Uani 1 1 d . . . . .
C34B C 0.3274(2) 0.3679(2) 0.82558(14) 0.0193(5) Uani 1 1 d . . . . .
H34B H 0.305124 0.302002 0.830742 0.023 Uiso 1 1 calc R U . . .
C20A C 0.1531(2) 0.7614(2) 0.43919(14) 0.0174(5) Uani 1 1 d . . . . .
H20A H 0.206151 0.798687 0.421924 0.021 Uiso 1 1 calc R U . . .
C20B C 0.4169(2) 0.3545(2) 0.57812(14) 0.0180(5) Uani 1 1 d . . . . .
H20B H 0.374897 0.412720 0.579535 0.022 Uiso 1 1 calc R U . . .
C35A C 0.4441(2) 0.82366(19) 0.75965(14) 0.0163(5) Uani 1 1 d . . . . .
H35A H 0.431965 0.882533 0.792534 0.020 Uiso 1 1 calc R U . . .
C35B C 0.6799(2) 0.36086(19) 0.90322(13) 0.0156(5) Uani 1 1 d . . . . .
C21A C 0.0752(2) 0.70542(19) 0.39017(14) 0.0169(5) Uani 1 1 d . . . . .
H21A H 0.075133 0.703625 0.339998 0.020 Uiso 1 1 calc R U . . .
C21B C 0.4367(2) 0.3034(2) 0.51224(14) 0.0179(5) Uani 1 1 d . . . . .
H21B H 0.408379 0.325716 0.469107 0.021 Uiso 1 1 calc R U . . .
C36A C 0.5478(2) 0.7882(2) 0.75794(15) 0.0201(5) Uani 1 1 d . . . . .
H36A H 0.606232 0.823550 0.789185 0.024 Uiso 1 1 calc R U . . .
C36B C 0.6642(2) 0.4496(2) 0.95038(14) 0.0202(5) Uani 1 1 d . . . . .
H36B H 0.594493 0.475866 0.950796 0.024 Uiso 1 1 calc R U . . .
C22A C 0.1921(2) 0.85458(18) 0.82811(13) 0.0145(4) Uani 1 1 d . . . . .
C23A C 0.2552(2) 0.8075(2) 0.87770(14) 0.0181(5) Uani 1 1 d . . . . .
H23A H 0.312876 0.767763 0.862839 0.022 Uiso 1 1 calc R U . . .
C23B C 0.4833(2) 0.2077(2) 0.91517(14) 0.0172(5) Uani 1 1 d . . . . .
C24A C 0.2344(2) 0.8184(2) 0.94872(15) 0.0217(5) Uani 1 1 d . . . . .
H24A H 0.277603 0.786113 0.982157 0.026 Uiso 1 1 calc R U . . .
C24B C 0.4762(3) 0.2622(2) 0.98361(16) 0.0264(6) Uani 1 1 d . . . . .
H24B H 0.499227 0.331309 0.994968 0.032 Uiso 1 1 calc R U . . .
C26A C 0.0893(2) 0.9264(2) 0.92219(16) 0.0264(6) Uani 1 1 d . . . . .
H26A H 0.033672 0.968311 0.937753 0.032 Uiso 1 1 calc R U . . .
C26B C 0.4000(3) 0.1152(3) 1.0179(2) 0.0431(9) Uani 1 1 d . . . . .
H26B H 0.371673 0.083485 1.052959 0.052 Uiso 1 1 calc R U . . .
C27A C 0.1094(2) 0.9154(2) 0.85121(15) 0.0209(5) Uani 1 1 d . . . . .
H27A H 0.067084 0.949090 0.818251 0.025 Uiso 1 1 calc R U . . .
C27B C 0.4056(3) 0.0612(3) 0.9498(2) 0.0388(8) Uani 1 1 d . . . . .
H27B H 0.380203 -0.007298 0.938112 0.047 Uiso 1 1 calc R U . . .
C28A C 0.1908(2) 0.95960(18) 0.68383(14) 0.0158(5) Uani 1 1 d . . . . .
C28B C 0.4482(3) 0.1067(2) 0.89858(17) 0.0262(6) Uani 1 1 d . . . . .
H28B H 0.453347 0.069004 0.852245 0.031 Uiso 1 1 calc R U . . .
C25A C 0.1502(2) 0.8765(2) 0.97070(15) 0.0249(6) Uani 1 1 d . . . . .
H25A H 0.134252 0.882112 1.018734 0.030 Uiso 1 1 calc R U . . .
C25B C 0.4357(3) 0.2158(3) 1.03527(18) 0.0372(8) Uani 1 1 d . . . . .
H25B H 0.432392 0.252703 1.082139 0.045 Uiso 1 1 calc R U . . .
C33A C 0.1025(2) 0.9810(2) 0.63734(15) 0.0206(5) Uani 1 1 d . . . . .
H33A H 0.046291 0.931428 0.620348 0.025 Uiso 1 1 calc R U . . .
C33B C 0.2512(2) 0.4398(2) 0.81477(15) 0.0247(6) Uani 1 1 d . . . . .
H33B H 0.176953 0.422961 0.812682 0.030 Uiso 1 1 calc R U . . .
C32A C 0.0968(2) 1.0755(2) 0.61565(17) 0.0256(6) Uani 1 1 d . . . . .
H32A H 0.036678 1.090137 0.583967 0.031 Uiso 1 1 calc R U . . .
C32B C 0.2841(3) 0.5362(2) 0.80704(16) 0.0262(6) Uani 1 1 d . . . . .
H32B H 0.232312 0.585196 0.799335 0.031 Uiso 1 1 calc R U . . .
C31A C 0.1791(3) 1.1477(2) 0.64060(16) 0.0250(6) Uani 1 1 d . . . . .
H31A H 0.174982 1.211986 0.626225 0.030 Uiso 1 1 calc R U . . .
C31B C 0.3923(3) 0.5608(2) 0.81058(16) 0.0248(6) Uani 1 1 d . . . . .
H31B H 0.414518 0.626964 0.805968 0.030 Uiso 1 1 calc R U . . .
C30A C 0.2675(2) 1.1264(2) 0.68650(16) 0.0225(5) Uani 1 1 d . . . . .
H30A H 0.324125 1.175723 0.702952 0.027 Uiso 1 1 calc R U . . .
C30B C 0.4688(2) 0.4890(2) 0.82087(14) 0.0193(5) Uani 1 1 d . . . . .
H30B H 0.542853 0.505966 0.822445 0.023 Uiso 1 1 calc R U . . .
C29A C 0.2731(2) 1.03261(19) 0.70842(14) 0.0180(5) Uani 1 1 d . . . . .
H29A H 0.333217 1.018432 0.740246 0.022 Uiso 1 1 calc R U . . .
C29B C 0.4366(2) 0.39262(19) 0.82884(13) 0.0152(5) Uani 1 1 d . . . . .
C37A C 0.5657(2) 0.7014(2) 0.71079(16) 0.0220(5) Uani 1 1 d . . . . .
H37A H 0.636208 0.677200 0.710110 0.026 Uiso 1 1 calc R U . . .
C37B C 0.7501(3) 0.4990(2) 0.99644(16) 0.0266(6) Uani 1 1 d . . . . .
H37B H 0.739090 0.559298 1.028297 0.032 Uiso 1 1 calc R U . . .
C38A C 0.4806(2) 0.6499(2) 0.66453(15) 0.0206(5) Uani 1 1 d . . . . .
H38A H 0.492968 0.590100 0.632636 0.025 Uiso 1 1 calc R U . . .
C38B C 0.8522(2) 0.4610(2) 0.99632(16) 0.0277(6) Uani 1 1 d . . . . .
H38B H 0.910890 0.495130 1.028081 0.033 Uiso 1 1 calc R U . . .
C39A C 0.3773(2) 0.68589(19) 0.66485(14) 0.0162(5) Uani 1 1 d . . . . .
H39A H 0.319663 0.651460 0.632295 0.019 Uiso 1 1 calc R U . . .
C39B C 0.8684(2) 0.3733(2) 0.94984(17) 0.0267(6) Uani 1 1 d . . . . .
H39B H 0.938198 0.347191 0.950016 0.032 Uiso 1 1 calc R U . . .
C40B C 0.7830(2) 0.3230(2) 0.90280(15) 0.0199(5) Uani 1 1 d . . . . .
H40B H 0.794615 0.263294 0.870578 0.024 Uiso 1 1 calc R U . . .
C43 C 1.1401(3) 0.2157(3) 0.9191(3) 0.0590(13) Uani 1 1 d . . . . .
H43A H 1.162324 0.283258 0.910776 0.071 Uiso 1 1 calc R U . . .
H43B H 1.193924 0.166981 0.902954 0.071 Uiso 1 1 calc R U . . .
C44 C 1.1311(4) 0.2184(4) 1.0037(3) 0.0524(10) Uani 1 1 d . . . . .
H44A H 1.067073 0.254317 1.016406 0.079 Uiso 1 1 calc R U . . .
H44B H 1.195131 0.253251 1.032745 0.079 Uiso 1 1 calc R U . . .
H44C H 1.125650 0.149221 1.013192 0.079 Uiso 1 1 calc R U . . .
C41 C 0.9457(3) 0.1417(3) 0.7713(2) 0.0459(10) Uani 1 1 d . . . A 1
H41A H 0.890646 0.192136 0.777575 0.069 Uiso 1 1 calc R U . A 1
H41B H 0.925778 0.082505 0.791298 0.069 Uiso 1 1 calc R U . A 1
H41C H 0.951210 0.121577 0.719954 0.069 Uiso 1 1 calc R U . A 1
C42 C 1.0516(3) 0.1860(3) 0.8097(2) 0.0424(9) Uani 1 1 d . . . A 1
H42A H 1.110955 0.143653 0.794139 0.051 Uiso 1 1 calc R U . A 1
H42B H 1.064031 0.254929 0.799934 0.051 Uiso 1 1 calc R U . A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 1.996(2) . ?
Pt1 C18A 2.092(2) . ?
Pt1 C1A 2.110(2) . ?
Pt1 Sb1 2.4869(3) . ?
Pt2 N2 1.994(2) . ?
Pt2 C18B 2.098(2) . ?
Pt2 C1B 2.100(2) . ?
Pt2 Sb2 2.4930(3) . ?
Sb1 C22A 2.125(2) . ?
Sb1 C34A 2.126(2) . ?
Sb1 C28A 2.128(2) . ?
O1 C43 1.309(5) . ?
O1 C42 1.417(5) . ?
N1 C13A 1.337(3) . ?
N1 C10A 1.339(3) . ?
Sb2 C35B 2.124(3) . ?
Sb2 C23B 2.125(2) . ?
Sb2 C29B 2.131(2) . ?
N2 C13B 1.332(3) . ?
N2 C10B 1.340(3) . ?
C2A C1A 1.390(3) . ?
C2A C3A 1.411(4) . ?
C2A H2A 0.9500 . ?
C2B C1B 1.394(4) . ?
C2B C3B 1.419(3) . ?
C2B H2B 0.9500 . ?
C1A C6A 1.440(3) . ?
C1B C6B 1.435(3) . ?
C3A C4A 1.384(4) . ?
C3A H3A 0.9500 . ?
C3B C4B 1.384(4) . ?
C3B H3B 0.9500 . ?
C4A C5A 1.410(4) . ?
C4A H4A 0.9500 . ?
C4B C5B 1.414(4) . ?
C4B H4B 0.9500 . ?
C5A C6A 1.415(3) . ?
C5A C7A 1.449(4) . ?
C5B C6B 1.404(3) . ?
C5B C7B 1.442(4) . ?
C15A C14A 1.360(3) . ?
C15A C16A 1.448(3) . ?
C15A H15A 0.9500 . ?
C15B C14B 1.359(4) . ?
C15B C16B 1.449(4) . ?
C15B H15B 0.9500 . ?
C6A C10A 1.423(3) . ?
C6B C10B 1.425(4) . ?
C16A C17A 1.404(3) . ?
C16A C21A 1.411(3) . ?
C16B C17B 1.411(3) . ?
C16B C21B 1.414(4) . ?
C17A C13A 1.429(3) . ?
C17A C18A 1.434(3) . ?
C17B C13B 1.425(3) . ?
C17B C18B 1.431(3) . ?
C7A C8A 1.357(4) . ?
C7A H7A 0.9500 . ?
C7B C8B 1.365(4) . ?
C7B H7B 0.9500 . ?
C8A C9A 1.440(3) . ?
C8A H8A 0.9500 . ?
C8B C9B 1.440(4) . ?
C8B H8B 0.9500 . ?
C9A C11A 1.402(3) . ?
C9A C10A 1.413(3) . ?
C9B C11B 1.402(4) . ?
C9B C10B 1.417(3) . ?
C19A C18A 1.394(3) . ?
C19A C20A 1.418(4) . ?
C19A H19A 0.9500 . ?
C19B C18B 1.395(3) . ?
C19B C20B 1.413(3) . ?
C19B H19B 0.9500 . ?
C11A C12A 1.407(3) . ?
C11A H11A 0.9500 . ?
C11B C12B 1.403(4) . ?
C11B H11B 0.9500 . ?
C12A C13A 1.412(3) . ?
C12A C14A 1.444(3) . ?
C12B C13B 1.411(3) . ?
C12B C14B 1.446(4) . ?
C14A H14A 0.9500 . ?
C14B H14B 0.9500 . ?
C34A C39A 1.397(3) . ?
C34A C35A 1.400(3) . ?
C34B C33B 1.394(4) . ?
C34B C29B 1.396(4) . ?
C34B H34B 0.9500 . ?
C20A C21A 1.379(4) . ?
C20A H20A 0.9500 . ?
C20B C21B 1.377(4) . ?
C20B H20B 0.9500 . ?
C35A C36A 1.396(4) . ?
C35A H35A 0.9500 . ?
C35B C40B 1.399(4) . ?
C35B C36B 1.399(4) . ?
C21A H21A 0.9500 . ?
C21B H21B 0.9500 . ?
C36A C37A 1.386(4) . ?
C36A H36A 0.9500 . ?
C36B C37B 1.385(4) . ?
C36B H36B 0.9500 . ?
C22A C23A 1.397(4) . ?
C22A C27A 1.400(4) . ?
C23A C24A 1.392(4) . ?
C23A H23A 0.9500 . ?
C23B C28B 1.393(4) . ?
C23B C24B 1.395(4) . ?
C24A C25A 1.389(4) . ?
C24A H24A 0.9500 . ?
C24B C25B 1.390(4) . ?
C24B H24B 0.9500 . ?
C26A C27A 1.388(4) . ?
C26A C25A 1.392(4) . ?
C26A H26A 0.9500 . ?
C26B C27B 1.384(6) . ?
C26B C25B 1.391(6) . ?
C26B H26B 0.9500 . ?
C27A H27A 0.9500 . ?
C27B C28B 1.390(4) . ?
C27B H27B 0.9500 . ?
C28A C29A 1.393(4) . ?
C28A C33A 1.395(4) . ?
C28B H28B 0.9500 . ?
C25A H25A 0.9500 . ?
C25B H25B 0.9500 . ?
C33A C32A 1.402(4) . ?
C33A H33A 0.9500 . ?
C33B C32B 1.392(5) . ?
C33B H33B 0.9500 . ?
C32A C31A 1.388(5) . ?
C32A H32A 0.9500 . ?
C32B C31B 1.383(5) . ?
C32B H32B 0.9500 . ?
C31A C30A 1.389(4) . ?
C31A H31A 0.9500 . ?
C31B C30B 1.393(4) . ?
C31B H31B 0.9500 . ?
C30A C29A 1.394(4) . ?
C30A H30A 0.9500 . ?
C30B C29B 1.390(4) . ?
C30B H30B 0.9500 . ?
C29A H29A 0.9500 . ?
C37A C38A 1.389(4) . ?
C37A H37A 0.9500 . ?
C37B C38B 1.389(5) . ?
C37B H37B 0.9500 . ?
C38A C39A 1.393(4) . ?
C38A H38A 0.9500 . ?
C38B C39B 1.384(5) . ?
C38B H38B 0.9500 . ?
C39A H39A 0.9500 . ?
C39B C40B 1.393(4) . ?
C39B H39B 0.9500 . ?
C40B H40B 0.9500 . ?
C43 C44 1.621(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C41 C42 1.498(5) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 C18A 79.96(9) . . ?
N1 Pt1 C1A 79.58(9) . . ?
C18A Pt1 C1A 159.52(10) . . ?
N1 Pt1 Sb1 173.96(6) . . ?
C18A Pt1 Sb1 97.58(7) . . ?
C1A Pt1 Sb1 102.87(7) . . ?
N2 Pt2 C18B 79.49(9) . . ?
N2 Pt2 C1B 79.84(9) . . ?
C18B Pt2 C1B 159.33(10) . . ?
N2 Pt2 Sb2 177.31(6) . . ?
C18B Pt2 Sb2 101.06(7) . . ?
C1B Pt2 Sb2 99.59(7) . . ?
C22A Sb1 C34A 101.09(10) . . ?
C22A Sb1 C28A 101.30(10) . . ?
C34A Sb1 C28A 105.20(9) . . ?
C22A Sb1 Pt1 116.89(7) . . ?
C34A Sb1 Pt1 116.60(7) . . ?
C28A Sb1 Pt1 113.75(7) . . ?
C43 O1 C42 107.7(3) . . ?
C13A N1 C10A 121.8(2) . . ?
C13A N1 Pt1 118.82(16) . . ?
C10A N1 Pt1 119.38(16) . . ?
C35B Sb2 C23B 99.48(10) . . ?
C35B Sb2 C29B 100.42(10) . . ?
C23B Sb2 C29B 98.58(10) . . ?
C35B Sb2 Pt2 116.58(7) . . ?
C23B Sb2 Pt2 117.57(7) . . ?
C29B Sb2 Pt2 120.43(7) . . ?
C13B N2 C10B 121.9(2) . . ?
C13B N2 Pt2 119.24(17) . . ?
C10B N2 Pt2 118.83(17) . . ?
C1A C2A C3A 122.2(2) . . ?
C1A C2A H2A 118.9 . . ?
C3A C2A H2A 118.9 . . ?
C1B C2B C3B 121.8(2) . . ?
C1B C2B H2B 119.1 . . ?
C3B C2B H2B 119.1 . . ?
C2A C1A C6A 113.8(2) . . ?
C2A C1A Pt1 136.48(19) . . ?
C6A C1A Pt1 109.69(17) . . ?
C2B C1B C6B 113.9(2) . . ?
C2B C1B Pt2 136.02(19) . . ?
C6B C1B Pt2 110.01(17) . . ?
C4A C3A C2A 122.4(3) . . ?
C4A C3A H3A 118.8 . . ?
C2A C3A H3A 118.8 . . ?
C4B C3B C2B 122.4(2) . . ?
C4B C3B H3B 118.8 . . ?
C2B C3B H3B 118.8 . . ?
C3A C4A C5A 119.0(2) . . ?
C3A C4A H4A 120.5 . . ?
C5A C4A H4A 120.5 . . ?
C3B C4B C5B 118.7(2) . . ?
C3B C4B H4B 120.6 . . ?
C5B C4B H4B 120.6 . . ?
C4A C5A C6A 117.1(2) . . ?
C4A C5A C7A 124.5(2) . . ?
C6A C5A C7A 118.4(2) . . ?
C6B C5B C4B 117.4(2) . . ?
C6B C5B C7B 118.9(2) . . ?
C4B C5B C7B 123.7(2) . . ?
C14A C15A C16A 122.5(2) . . ?
C14A C15A H15A 118.7 . . ?
C16A C15A H15A 118.7 . . ?
C14B C15B C16B 122.6(2) . . ?
C14B C15B H15B 118.7 . . ?
C16B C15B H15B 118.7 . . ?
C5A C6A C10A 117.2(2) . . ?
C5A C6A C1A 125.4(2) . . ?
C10A C6A C1A 117.4(2) . . ?
C5B C6B C10B 117.1(2) . . ?
C5B C6B C1B 125.8(2) . . ?
C10B C6B C1B 117.1(2) . . ?
C17A C16A C21A 117.6(2) . . ?
C17A C16A C15A 118.6(2) . . ?
C21A C16A C15A 123.8(2) . . ?
C17B C16B C21B 117.1(2) . . ?
C17B C16B C15B 118.6(2) . . ?
C21B C16B C15B 124.3(2) . . ?
C16A C17A C13A 117.5(2) . . ?
C16A C17A C18A 125.4(2) . . ?
C13A C17A C18A 117.1(2) . . ?
C16B C17B C13B 117.4(2) . . ?
C16B C17B C18B 125.6(2) . . ?
C13B C17B C18B 116.9(2) . . ?
C8A C7A C5A 122.8(2) . . ?
C8A C7A H7A 118.6 . . ?
C5A C7A H7A 118.6 . . ?
C8B C7B C5B 122.7(2) . . ?
C8B C7B H7B 118.7 . . ?
C5B C7B H7B 118.7 . . ?
C7A C8A C9A 120.8(2) . . ?
C7A C8A H8A 119.6 . . ?
C9A C8A H8A 119.6 . . ?
C7B C8B C9B 120.6(2) . . ?
C7B C8B H8B 119.7 . . ?
C9B C8B H8B 119.7 . . ?
C11A C9A C10A 117.5(2) . . ?
C11A C9A C8A 126.6(2) . . ?
C10A C9A C8A 115.9(2) . . ?
C11B C9B C10B 117.7(2) . . ?
C11B C9B C8B 126.6(2) . . ?
C10B C9B C8B 115.7(2) . . ?
C18A C19A C20A 121.8(2) . . ?
C18A C19A H19A 119.1 . . ?
C20A C19A H19A 119.1 . . ?
C18B C19B C20B 121.7(2) . . ?
C18B C19B H19B 119.1 . . ?
C20B C19B H19B 119.1 . . ?
N1 C10A C9A 121.2(2) . . ?
N1 C10A C6A 113.9(2) . . ?
C9A C10A C6A 124.9(2) . . ?
N2 C10B C9B 120.9(2) . . ?
N2 C10B C6B 114.2(2) . . ?
C9B C10B C6B 124.9(2) . . ?
C19A C18A C17A 114.1(2) . . ?
C19A C18A Pt1 135.79(19) . . ?
C17A C18A Pt1 110.11(16) . . ?
C19B C18B C17B 114.0(2) . . ?
C19B C18B Pt2 135.76(19) . . ?
C17B C18B Pt2 110.25(17) . . ?
C9A C11A C12A 120.9(2) . . ?
C9A C11A H11A 119.6 . . ?
C12A C11A H11A 119.6 . . ?
C9B C11B C12B 120.6(2) . . ?
C9B C11B H11B 119.7 . . ?
C12B C11B H11B 119.7 . . ?
C11A C12A C13A 117.3(2) . . ?
C11A C12A C14A 127.0(2) . . ?
C13A C12A C14A 115.7(2) . . ?
C11B C12B C13B 117.7(2) . . ?
C11B C12B C14B 126.3(2) . . ?
C13B C12B C14B 116.0(2) . . ?
N1 C13A C12A 121.3(2) . . ?
N1 C13A C17A 114.0(2) . . ?
C12A C13A C17A 124.7(2) . . ?
N2 C13B C12B 121.3(2) . . ?
N2 C13B C17B 114.1(2) . . ?
C12B C13B C17B 124.6(2) . . ?
C15A C14A C12A 121.0(2) . . ?
C15A C14A H14A 119.5 . . ?
C12A C14A H14A 119.5 . . ?
C15B C14B C12B 120.8(2) . . ?
C15B C14B H14B 119.6 . . ?
C12B C14B H14B 119.6 . . ?
C39A C34A C35A 119.4(2) . . ?
C39A C34A Sb1 117.68(18) . . ?
C35A C34A Sb1 122.83(18) . . ?
C33B C34B C29B 120.1(3) . . ?
C33B C34B H34B 119.9 . . ?
C29B C34B H34B 119.9 . . ?
C21A C20A C19A 122.3(2) . . ?
C21A C20A H20A 118.8 . . ?
C19A C20A H20A 118.8 . . ?
C21B C20B C19B 122.7(2) . . ?
C21B C20B H20B 118.6 . . ?
C19B C20B H20B 118.6 . . ?
C36A C35A C34A 119.9(2) . . ?
C36A C35A H35A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C40B C35B C36B 119.5(2) . . ?
C40B C35B Sb2 118.95(19) . . ?
C36B C35B Sb2 121.42(19) . . ?
C20A C21A C16A 118.8(2) . . ?
C20A C21A H21A 120.6 . . ?
C16A C21A H21A 120.6 . . ?
C20B C21B C16B 118.8(2) . . ?
C20B C21B H21B 120.6 . . ?
C16B C21B H21B 120.6 . . ?
C37A C36A C35A 120.2(2) . . ?
C37A C36A H36A 119.9 . . ?
C35A C36A H36A 119.9 . . ?
C37B C36B C35B 120.1(3) . . ?
C37B C36B H36B 120.0 . . ?
C35B C36B H36B 120.0 . . ?
C23A C22A C27A 119.2(2) . . ?
C23A C22A Sb1 121.97(19) . . ?
C27A C22A Sb1 117.74(19) . . ?
C24A C23A C22A 120.5(3) . . ?
C24A C23A H23A 119.8 . . ?
C22A C23A H23A 119.8 . . ?
C28B C23B C24B 119.5(3) . . ?
C28B C23B Sb2 119.9(2) . . ?
C24B C23B Sb2 120.6(2) . . ?
C25A C24A C23A 120.0(3) . . ?
C25A C24A H24A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C25B C24B C23B 120.4(3) . . ?
C25B C24B H24B 119.8 . . ?
C23B C24B H24B 119.8 . . ?
C27A C26A C25A 120.4(3) . . ?
C27A C26A H26A 119.8 . . ?
C25A C26A H26A 119.8 . . ?
C27B C26B C25B 120.3(3) . . ?
C27B C26B H26B 119.9 . . ?
C25B C26B H26B 119.9 . . ?
C26A C27A C22A 120.1(3) . . ?
C26A C27A H27A 120.0 . . ?
C22A C27A H27A 120.0 . . ?
C26B C27B C28B 120.2(3) . . ?
C26B C27B H27B 119.9 . . ?
C28B C27B H27B 119.9 . . ?
C29A C28A C33A 119.6(2) . . ?
C29A C28A Sb1 121.53(19) . . ?
C33A C28A Sb1 118.84(19) . . ?
C27B C28B C23B 120.0(3) . . ?
C27B C28B H28B 120.0 . . ?
C23B C28B H28B 120.0 . . ?
C24A C25A C26A 119.8(3) . . ?
C24A C25A H25A 120.1 . . ?
C26A C25A H25A 120.1 . . ?
C24B C25B C26B 119.6(3) . . ?
C24B C25B H25B 120.2 . . ?
C26B C25B H25B 120.2 . . ?
C28A C33A C32A 120.1(3) . . ?
C28A C33A H33A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C32B C33B C34B 119.8(3) . . ?
C32B C33B H33B 120.1 . . ?
C34B C33B H33B 120.1 . . ?
C31A C32A C33A 119.8(3) . . ?
C31A C32A H32A 120.1 . . ?
C33A C32A H32A 120.1 . . ?
C31B C32B C33B 120.0(3) . . ?
C31B C32B H32B 120.0 . . ?
C33B C32B H32B 120.0 . . ?
C32A C31A C30A 120.3(3) . . ?
C32A C31A H31A 119.9 . . ?
C30A C31A H31A 119.9 . . ?
C32B C31B C30B 120.4(3) . . ?
C32B C31B H31B 119.8 . . ?
C30B C31B H31B 119.8 . . ?
C31A C30A C29A 120.0(3) . . ?
C31A C30A H30A 120.0 . . ?
C29A C30A H30A 120.0 . . ?
C29B C30B C31B 120.0(3) . . ?
C29B C30B H30B 120.0 . . ?
C31B C30B H30B 120.0 . . ?
C28A C29A C30A 120.2(3) . . ?
C28A C29A H29A 119.9 . . ?
C30A C29A H29A 119.9 . . ?
C30B C29B C34B 119.7(2) . . ?
C30B C29B Sb2 121.43(19) . . ?
C34B C29B Sb2 118.66(19) . . ?
C36A C37A C38A 120.1(2) . . ?
C36A C37A H37A 119.9 . . ?
C38A C37A H37A 119.9 . . ?
C36B C37B C38B 120.4(3) . . ?
C36B C37B H37B 119.8 . . ?
C38B C37B H37B 119.8 . . ?
C37A C38A C39A 120.1(3) . . ?
C37A C38A H38A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C39B C38B C37B 119.9(3) . . ?
C39B C38B H38B 120.1 . . ?
C37B C38B H38B 120.1 . . ?
C38A C39A C34A 120.2(2) . . ?
C38A C39A H39A 119.9 . . ?
C34A C39A H39A 119.9 . . ?
C38B C39B C40B 120.5(3) . . ?
C38B C39B H39B 119.8 . . ?
C40B C39B H39B 119.8 . . ?
C39B C40B C35B 119.7(3) . . ?
C39B C40B H40B 120.2 . . ?
C35B C40B H40B 120.2 . . ?
O1 C43 C44 107.1(3) . . ?
O1 C43 H43A 110.3 . . ?
C44 C43 H43A 110.3 . . ?
O1 C43 H43B 110.3 . . ?
C44 C43 H43B 110.3 . . ?
H43A C43 H43B 108.6 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O1 C42 C41 105.5(3) . . ?
O1 C42 H42A 110.6 . . ?
C41 C42 H42A 110.6 . . ?
O1 C42 H42B 110.6 . . ?
C41 C42 H42B 110.6 . . ?
H42A C42 H42B 108.8 . . ?

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
C3A C2A C1A C6A 0.2(4) . . . . ?
C3A C2A C1A Pt1 -179.6(2) . . . . ?
C3B C2B C1B C6B 0.9(4) . . . . ?
C3B C2B C1B Pt2 -176.4(2) . . . . ?
C1A C2A C3A C4A -0.9(4) . . . . ?
C1B C2B C3B C4B -1.0(4) . . . . ?
C2A C3A C4A C5A 0.7(4) . . . . ?
C2B C3B C4B C5B 0.4(4) . . . . ?
C3A C4A C5A C6A 0.1(4) . . . . ?
C3A C4A C5A C7A 179.5(3) . . . . ?
C3B C4B C5B C6B 0.0(4) . . . . ?
C3B C4B C5B C7B 179.4(2) . . . . ?
C4A C5A C6A C10A 178.8(2) . . . . ?
C7A C5A C6A C10A -0.6(3) . . . . ?
C4A C5A C6A C1A -0.9(4) . . . . ?
C7A C5A C6A C1A 179.6(2) . . . . ?
C2A C1A C6A C5A 0.8(4) . . . . ?
Pt1 C1A C6A C5A -179.4(2) . . . . ?
C2A C1A C6A C10A -179.0(2) . . . . ?
Pt1 C1A C6A C10A 0.8(3) . . . . ?
C4B C5B C6B C10B 178.3(2) . . . . ?
C7B C5B C6B C10B -1.1(4) . . . . ?
C4B C5B C6B C1B 0.0(4) . . . . ?
C7B C5B C6B C1B -179.4(2) . . . . ?
C2B C1B C6B C5B -0.5(4) . . . . ?
Pt2 C1B C6B C5B 177.5(2) . . . . ?
C2B C1B C6B C10B -178.8(2) . . . . ?
Pt2 C1B C6B C10B -0.8(3) . . . . ?
C14A C15A C16A C17A 0.2(4) . . . . ?
C14A C15A C16A C21A 179.7(2) . . . . ?
C14B C15B C16B C17B -1.0(4) . . . . ?
C14B C15B C16B C21B 179.7(2) . . . . ?
C21A C16A C17A C13A -178.8(2) . . . . ?
C15A C16A C17A C13A 0.7(3) . . . . ?
C21A C16A C17A C18A 0.1(4) . . . . ?
C15A C16A C17A C18A 179.7(2) . . . . ?
C21B C16B C17B C13B 179.5(2) . . . . ?
C15B C16B C17B C13B 0.2(3) . . . . ?
C21B C16B C17B C18B -0.1(4) . . . . ?
C15B C16B C17B C18B -179.4(2) . . . . ?
C4A C5A C7A C8A -179.0(3) . . . . ?
C6A C5A C7A C8A 0.5(4) . . . . ?
C6B C5B C7B C8B 0.7(4) . . . . ?
C4B C5B C7B C8B -178.7(3) . . . . ?
C5A C7A C8A C9A 0.0(4) . . . . ?
C5B C7B C8B C9B 0.2(4) . . . . ?
C7A C8A C9A C11A 178.3(2) . . . . ?
C7A C8A C9A C10A -0.3(4) . . . . ?
C7B C8B C9B C11B -179.8(3) . . . . ?
C7B C8B C9B C10B -0.5(4) . . . . ?
C13A N1 C10A C9A 0.1(3) . . . . ?
Pt1 N1 C10A C9A 178.50(17) . . . . ?
C13A N1 C10A C6A 179.6(2) . . . . ?
Pt1 N1 C10A C6A -2.0(3) . . . . ?
C11A C9A C10A N1 0.8(3) . . . . ?
C8A C9A C10A N1 179.6(2) . . . . ?
C11A C9A C10A C6A -178.6(2) . . . . ?
C8A C9A C10A C6A 0.1(4) . . . . ?
C5A C6A C10A N1 -179.1(2) . . . . ?
C1A C6A C10A N1 0.6(3) . . . . ?
C5A C6A C10A C9A 0.4(4) . . . . ?
C1A C6A C10A C9A -179.9(2) . . . . ?
C13B N2 C10B C9B 0.5(4) . . . . ?
Pt2 N2 C10B C9B -178.13(18) . . . . ?
C13B N2 C10B C6B -179.9(2) . . . . ?
Pt2 N2 C10B C6B 1.4(3) . . . . ?
C11B C9B C10B N2 -1.1(4) . . . . ?
C8B C9B C10B N2 179.6(2) . . . . ?
C11B C9B C10B C6B 179.4(2) . . . . ?
C8B C9B C10B C6B 0.1(4) . . . . ?
C5B C6B C10B N2 -178.8(2) . . . . ?
C1B C6B C10B N2 -0.4(3) . . . . ?
C5B C6B C10B C9B 0.8(4) . . . . ?
C1B C6B C10B C9B 179.2(2) . . . . ?
C20A C19A C18A C17A 0.0(4) . . . . ?
C20A C19A C18A Pt1 178.2(2) . . . . ?
C16A C17A C18A C19A 0.2(4) . . . . ?
C13A C17A C18A C19A 179.1(2) . . . . ?
C16A C17A C18A Pt1 -178.56(19) . . . . ?
C13A C17A C18A Pt1 0.4(3) . . . . ?
C20B C19B C18B C17B 0.2(3) . . . . ?
C20B C19B C18B Pt2 -178.9(2) . . . . ?
C16B C17B C18B C19B -0.2(4) . . . . ?
C13B C17B C18B C19B -179.9(2) . . . . ?
C16B C17B C18B Pt2 179.1(2) . . . . ?
C13B C17B C18B Pt2 -0.5(3) . . . . ?
C10A C9A C11A C12A -0.8(3) . . . . ?
C8A C9A C11A C12A -179.4(2) . . . . ?
C10B C9B C11B C12B 0.7(4) . . . . ?
C8B C9B C11B C12B 179.9(3) . . . . ?
C9A C11A C12A C13A -0.1(3) . . . . ?
C9A C11A C12A C14A 179.5(2) . . . . ?
C9B C11B C12B C13B 0.3(4) . . . . ?
C9B C11B C12B C14B -179.0(2) . . . . ?
C10A N1 C13A C12A -1.1(3) . . . . ?
Pt1 N1 C13A C12A -179.51(17) . . . . ?
C10A N1 C13A C17A 179.3(2) . . . . ?
Pt1 N1 C13A C17A 0.9(3) . . . . ?
C11A C12A C13A N1 1.1(3) . . . . ?
C14A C12A C13A N1 -178.6(2) . . . . ?
C11A C12A C13A C17A -179.3(2) . . . . ?
C14A C12A C13A C17A 1.0(3) . . . . ?
C16A C17A C13A N1 178.2(2) . . . . ?
C18A C17A C13A N1 -0.8(3) . . . . ?
C16A C17A C13A C12A -1.4(3) . . . . ?
C18A C17A C13A C12A 179.6(2) . . . . ?
C10B N2 C13B C12B 0.5(4) . . . . ?
Pt2 N2 C13B C12B 179.17(17) . . . . ?
C10B N2 C13B C17B -178.9(2) . . . . ?
Pt2 N2 C13B C17B -0.2(3) . . . . ?
C11B C12B C13B N2 -0.9(4) . . . . ?
C14B C12B C13B N2 178.5(2) . . . . ?
C11B C12B C13B C17B 178.4(2) . . . . ?
C14B C12B C13B C17B -2.2(4) . . . . ?
C16B C17B C13B N2 -179.2(2) . . . . ?
C18B C17B C13B N2 0.5(3) . . . . ?
C16B C17B C13B C12B 1.4(4) . . . . ?
C18B C17B C13B C12B -178.9(2) . . . . ?
C16A C15A C14A C12A -0.5(4) . . . . ?
C11A C12A C14A C15A -179.6(2) . . . . ?
C13A C12A C14A C15A 0.0(3) . . . . ?
C16B C15B C14B C12B 0.2(4) . . . . ?
C11B C12B C14B C15B -179.4(3) . . . . ?
C13B C12B C14B C15B 1.3(4) . . . . ?
C18A C19A C20A C21A -0.4(4) . . . . ?
C18B C19B C20B C21B 0.1(4) . . . . ?
C39A C34A C35A C36A 0.0(4) . . . . ?
Sb1 C34A C35A C36A 176.28(19) . . . . ?
C19A C20A C21A C16A 0.7(4) . . . . ?
C17A C16A C21A C20A -0.6(4) . . . . ?
C15A C16A C21A C20A 179.9(2) . . . . ?
C19B C20B C21B C16B -0.4(4) . . . . ?
C17B C16B C21B C20B 0.4(4) . . . . ?
C15B C16B C21B C20B 179.7(2) . . . . ?
C34A C35A C36A C37A -1.0(4) . . . . ?
C40B C35B C36B C37B -0.3(4) . . . . ?
Sb2 C35B C36B C37B 175.7(2) . . . . ?
C27A C22A C23A C24A 1.9(4) . . . . ?
Sb1 C22A C23A C24A -165.9(2) . . . . ?
C22A C23A C24A C25A 0.0(4) . . . . ?
C28B C23B C24B C25B 0.8(5) . . . . ?
Sb2 C23B C24B C25B -178.4(3) . . . . ?
C25A C26A C27A C22A -0.7(5) . . . . ?
C23A C22A C27A C26A -1.5(4) . . . . ?
Sb1 C22A C27A C26A 166.8(2) . . . . ?
C25B C26B C27B C28B 0.8(6) . . . . ?
C26B C27B C28B C23B -1.4(5) . . . . ?
C24B C23B C28B C27B 0.6(5) . . . . ?
Sb2 C23B C28B C27B 179.7(3) . . . . ?
C23A C24A C25A C26A -2.2(4) . . . . ?
C27A C26A C25A C24A 2.5(5) . . . . ?
C23B C24B C25B C26B -1.4(6) . . . . ?
C27B C26B C25B C24B 0.5(6) . . . . ?
C29A C28A C33A C32A -0.1(4) . . . . ?
Sb1 C28A C33A C32A 180.0(2) . . . . ?
C29B C34B C33B C32B 0.2(4) . . . . ?
C28A C33A C32A C31A 0.0(4) . . . . ?
C34B C33B C32B C31B -0.4(4) . . . . ?
C33A C32A C31A C30A 0.5(4) . . . . ?
C33B C32B C31B C30B 0.9(4) . . . . ?
C32A C31A C30A C29A -0.8(4) . . . . ?
C32B C31B C30B C29B -1.1(4) . . . . ?
C33A C28A C29A C30A -0.2(4) . . . . ?
Sb1 C28A C29A C30A 179.7(2) . . . . ?
C31A C30A C29A C28A 0.7(4) . . . . ?
C31B C30B C29B C34B 0.8(4) . . . . ?
C31B C30B C29B Sb2 175.3(2) . . . . ?
C33B C34B C29B C30B -0.3(4) . . . . ?
C33B C34B C29B Sb2 -175.0(2) . . . . ?
C35A C36A C37A C38A 0.6(4) . . . . ?
C35B C36B C37B C38B -0.1(4) . . . . ?
C36A C37A C38A C39A 0.7(4) . . . . ?
C36B C37B C38B C39B 0.1(5) . . . . ?
C37A C38A C39A C34A -1.6(4) . . . . ?
C35A C34A C39A C38A 1.2(4) . . . . ?
Sb1 C34A C39A C38A -175.20(19) . . . . ?
C37B C38B C39B C40B 0.3(5) . . . . ?
C38B C39B C40B C35B -0.8(4) . . . . ?
C36B C35B C40B C39B 0.8(4) . . . . ?
Sb2 C35B C40B C39B -175.4(2) . . . . ?
C42 O1 C43 C44 179.8(3) . . . . ?
C43 O1 C42 C41 173.0(3) . . . . ?

_refine_diff_density_max         4.482
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.140


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CHCl3, Et2O'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_mo_Jordan_RJ_M_11_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2257280'
loop_
_audit_author_name
_audit_author_address
'Rose Jordan'
;University of Cologne
Germany
;
_audit_update_record             
;
2023-04-18 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        '[Pt(dpp)SbPh3]'
_chemical_name_common            '[Pt(PhPyPh)SbPh3]'
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H26 N Pt Sb'
_chemical_formula_weight         777.41

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'

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

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

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

_cell_length_a                   10.1552(6)
_cell_length_b                   15.5531(9)
_cell_length_c                   17.8316(12)
_cell_angle_alpha                104.044(3)
_cell_angle_beta                 97.175(3)
_cell_angle_gamma                90.067(2)
_cell_volume                     2709.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9885
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      30.08

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_F_000             1488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    6.180
_shelx_estimated_absorpt_T_min   0.457
_shelx_estimated_absorpt_T_max   0.886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5143
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker d8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            153953
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.004
_diffrn_reflns_theta_max         30.158
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             15935
_reflns_number_gt                12751
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+117.5621P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15935
_refine_ls_number_parameters     667
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0943
_refine_ls_R_factor_gt           0.0750
_refine_ls_wR_factor_ref         0.1606
_refine_ls_wR_factor_gt          0.1514
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N1A N 0.1223(8) 0.3265(5) 0.3462(5) 0.0171(16) Uani 1 1 d . . . . .
N1B N 0.6214(8) 1.0888(5) 0.3410(6) 0.023(2) Uani 1 1 d . . . . .
C1A C 0.0999(11) 0.3534(7) 0.4207(7) 0.024(2) Uani 1 1 d . . . . .
C1B C 0.5965(12) 1.1030(7) 0.4156(7) 0.030(3) Uani 1 1 d . . . . .
C2A C 0.0100(13) 0.3050(8) 0.4472(7) 0.033(3) Uani 1 1 d . . . . .
H2A H -0.004138 0.321453 0.500445 0.040 Uiso 1 1 calc R U . . .
C2B C 0.5022(12) 1.1653(7) 0.4418(8) 0.031(3) Uani 1 1 d . . . . .
H2B H 0.485378 1.179374 0.494561 0.037 Uiso 1 1 calc R U . . .
C3A C -0.0587(13) 0.2338(8) 0.3980(8) 0.035(3) Uani 1 1 d . . . . .
H3A H -0.120546 0.201306 0.417234 0.042 Uiso 1 1 calc R U . . .
C3B C 0.4341(10) 1.2056(7) 0.3874(8) 0.030(3) Uani 1 1 d . . . . .
H3B H 0.370883 1.248766 0.403895 0.036 Uiso 1 1 calc R U . . .
C4A C -0.0393(12) 0.2083(8) 0.3204(7) 0.028(2) Uani 1 1 d . . . . .
H4A H -0.088324 0.159576 0.285470 0.034 Uiso 1 1 calc R U . . .
C4B C 0.4556(10) 1.1847(7) 0.3108(8) 0.025(2) Uani 1 1 d . . . . .
H4B H 0.405093 1.211441 0.274538 0.030 Uiso 1 1 calc R U . . .
C5A C 0.0554(10) 0.2569(7) 0.2950(7) 0.023(2) Uani 1 1 d . . . . .
C5B C 0.5517(10) 1.1244(6) 0.2864(7) 0.024(2) Uani 1 1 d . . . . .
C6A C 0.0941(11) 0.2411(7) 0.2156(7) 0.024(2) Uani 1 1 d . . . . .
C6B C 0.5926(11) 1.0931(6) 0.2086(8) 0.026(2) Uani 1 1 d . . . . .
C8A C 0.2345(11) 0.2815(7) 0.1310(7) 0.025(2) Uani 1 1 d . . . . .
H8A H 0.302514 0.317920 0.121475 0.030 Uiso 1 1 calc R U . . .
C8B C 0.7424(12) 1.0069(7) 0.1275(8) 0.029(3) Uani 1 1 d . . . . .
H8B H 0.815338 0.968858 0.120450 0.035 Uiso 1 1 calc R U . . .
C9A C 0.1780(14) 0.2126(8) 0.0701(8) 0.036(3) Uani 1 1 d . . . . .
H9A H 0.209244 0.200921 0.020689 0.043 Uiso 1 1 calc R U . . .
C9B C 0.6811(14) 1.0365(8) 0.0646(8) 0.037(3) Uani 1 1 d . . . . .
H9B H 0.712713 1.018211 0.015424 0.045 Uiso 1 1 calc R U . . .
C10A C 0.0746(17) 0.1611(9) 0.0830(8) 0.047(4) Uani 1 1 d . . . . .
H10A H 0.032910 0.115437 0.041259 0.056 Uiso 1 1 calc R U . . .
C10B C 0.5740(16) 1.0924(8) 0.0726(8) 0.042(3) Uani 1 1 d . . . . .
H10B H 0.530619 1.110182 0.028732 0.051 Uiso 1 1 calc R U . . .
C7A C 0.1955(9) 0.2994(6) 0.2056(6) 0.0174(19) Uani 1 1 d . . . . .
C7B C 0.6994(10) 1.0318(6) 0.2005(8) 0.026(2) Uani 1 1 d . . . . .
Pt1A Pt 0.25667(3) 0.39489(2) 0.30805(2) 0.01516(9) Uani 1 1 d . . . . .
Pt1B Pt 0.75645(4) 0.99713(2) 0.30503(3) 0.02229(10) Uani 1 1 d . . . . .
Sb1A Sb 0.40030(6) 0.48737(4) 0.25168(4) 0.01869(14) Uani 1 1 d . . . . .
Sb1B Sb 0.88908(7) 0.86842(4) 0.24840(6) 0.0304(2) Uani 1 1 d . . . . .
C11A C 0.0325(13) 0.1751(8) 0.1545(7) 0.031(3) Uani 1 1 d . . . . .
H11A H -0.038645 0.139921 0.162282 0.038 Uiso 1 1 calc R U . . .
C11B C 0.5316(9) 1.1217(7) 0.1444(8) 0.0265(17) Uani 1 1 d . . . . .
H11B H 0.460604 1.161501 0.150510 0.032 Uiso 1 1 calc R U . . .
C12A C 0.1798(11) 0.4331(8) 0.4647(7) 0.025(2) Uani 1 1 d . . . . .
C12B C 0.6773(10) 1.0492(6) 0.4609(7) 0.026(2) Uani 1 1 d . . . . .
C13A C 0.2728(10) 0.4652(6) 0.4236(6) 0.0189(19) Uani 1 1 d . . . . .
C13B C 0.7704(11) 0.9937(7) 0.4207(8) 0.027(2) Uani 1 1 d . . . . .
C14A C 0.3512(12) 0.5409(7) 0.4672(7) 0.027(2) Uani 1 1 d . . . . .
H14A H 0.416723 0.564261 0.443325 0.033 Uiso 1 1 calc R U . . .
C14B C 0.8467(13) 0.9446(7) 0.4661(9) 0.039(3) Uani 1 1 d . . . . .
H14B H 0.911670 0.907095 0.442617 0.047 Uiso 1 1 calc R U . . .
C15A C 0.3346(13) 0.5815(8) 0.5437(8) 0.033(3) Uani 1 1 d . . . . .
H15A H 0.390417 0.631013 0.571449 0.040 Uiso 1 1 calc R U . . .
C15B C 0.8329(13) 0.9478(8) 0.5423(9) 0.040(3) Uani 1 1 d . . . . .
H15B H 0.889892 0.915034 0.570592 0.048 Uiso 1 1 calc R U . . .
C16A C 0.2382(14) 0.5511(9) 0.5799(8) 0.038(3) Uani 1 1 d . . . . .
H16A H 0.224951 0.580812 0.631522 0.045 Uiso 1 1 calc R U . . .
C16B C 0.7328(11) 1.0004(8) 0.5791(8) 0.032(3) Uani 1 1 d . . . . .
H16B H 0.717499 1.000165 0.630501 0.039 Uiso 1 1 calc R U . . .
C17A C 0.1612(15) 0.4768(8) 0.5401(7) 0.037(3) Uani 1 1 d . . . . .
H17A H 0.094794 0.455365 0.564733 0.044 Uiso 1 1 calc R U . . .
C17B C 0.6596(9) 1.0513(7) 0.5371(8) 0.0265(17) Uani 1 1 d . . . . .
H17B H 0.595100 1.088968 0.561047 0.032 Uiso 1 1 calc R U . . .
C18A C 0.2959(9) 0.5195(6) 0.1519(7) 0.021(2) Uani 1 1 d . . . . .
C18B C 1.0660(13) 0.8947(8) 0.2032(10) 0.041(4) Uani 1 1 d . . . . .
C19A C 0.1550(10) 0.5177(7) 0.1450(7) 0.024(2) Uani 1 1 d . . . . .
H19A H 0.110226 0.493029 0.178949 0.028 Uiso 1 1 calc R U . . .
C19B C 1.1083(14) 0.9775(9) 0.2108(10) 0.046(3) Uani 1 1 d . . . . .
H19B H 1.056688 1.025120 0.234085 0.055 Uiso 1 1 calc R U . . .
C20A C 0.0840(11) 0.5518(7) 0.0888(8) 0.028(2) Uani 1 1 d . . . . .
H20A H -0.010259 0.549258 0.082856 0.034 Uiso 1 1 calc R U . . .
C20B C 1.2277(17) 0.9960(10) 0.1850(12) 0.063(4) Uani 1 1 d . . . . .
H20B H 1.257082 1.055937 0.193351 0.076 Uiso 1 1 calc R U . . .
C21A C 0.1497(11) 0.5902(7) 0.0404(8) 0.030(3) Uani 1 1 d . . . . .
H21A H 0.099338 0.617543 0.004527 0.037 Uiso 1 1 calc R U . . .
C21B C 1.3007(13) 0.9319(9) 0.1494(11) 0.049(4) Uani 1 1 d . . . . .
H21B H 1.367589 0.943075 0.119849 0.059 Uiso 1 1 calc R U . . .
C22A C 0.2815(10) 0.5896(7) 0.0432(8) 0.025(2) Uani 1 1 d . . . . .
H22A H 0.323525 0.611734 0.006683 0.031 Uiso 1 1 calc R U . . .
C22B C 1.2729(17) 0.8459(10) 0.1580(12) 0.063(4) Uani 1 1 d . . . . .
H22B H 1.333905 0.800245 0.144357 0.076 Uiso 1 1 calc R U . . .
C23A C 0.3584(10) 0.5560(7) 0.1005(7) 0.024(2) Uani 1 1 d . . . . .
H23A H 0.452504 0.558085 0.104293 0.029 Uiso 1 1 calc R U . . .
C23B C 1.1576(14) 0.8279(9) 0.1862(10) 0.046(3) Uani 1 1 d . . . . .
H23B H 1.140798 0.770690 0.193804 0.055 Uiso 1 1 calc R U . . .
C25A C 0.5902(13) 0.6306(8) 0.3610(8) 0.038(3) Uani 1 1 d . . . . .
H25A H 0.625197 0.581691 0.379242 0.045 Uiso 1 1 calc R U . . .
C25B C 0.8241(12) 0.7065(8) 0.1067(7) 0.029(2) Uani 1 1 d . . . . .
H25B H 0.914497 0.693801 0.119413 0.035 Uiso 1 1 calc R U . . .
C26A C 0.6510(18) 0.7144(10) 0.3888(9) 0.054(5) Uani 1 1 d . . . . .
H26A H 0.728766 0.722587 0.425724 0.065 Uiso 1 1 calc R U . . .
C26B C 0.7480(12) 0.6505(8) 0.0460(8) 0.030(3) Uani 1 1 d . . . . .
H26B H 0.785463 0.599123 0.016805 0.036 Uiso 1 1 calc R U . . .
C27A C 0.599(2) 0.7857(10) 0.3633(11) 0.069(6) Uani 1 1 d . . . . .
H27A H 0.640040 0.842937 0.383077 0.083 Uiso 1 1 calc R U . . .
C27B C 0.6162(13) 0.6684(7) 0.0267(9) 0.034(3) Uani 1 1 d . . . . .
H27B H 0.563475 0.629601 -0.015804 0.041 Uiso 1 1 calc R U . . .
C28A C 0.488(2) 0.7737(9) 0.3095(10) 0.057(5) Uani 1 1 d . . . . .
H28A H 0.454265 0.823303 0.291961 0.068 Uiso 1 1 calc R U . . .
C28B C 0.5616(11) 0.7431(8) 0.0696(11) 0.049(4) Uani 1 1 d . . . . .
H28B H 0.471184 0.755355 0.056479 0.059 Uiso 1 1 calc R U . . .
C29A C 0.4233(14) 0.6910(7) 0.2793(8) 0.033(3) Uani 1 1 d . . . . .
H29A H 0.345735 0.683869 0.242264 0.040 Uiso 1 1 calc R U . . .
C29B C 0.6402(12) 0.8015(8) 0.1331(11) 0.050(4) Uani 1 1 d . . . . .
H29B H 0.602835 0.852693 0.162643 0.060 Uiso 1 1 calc R U . . .
C30A C 0.5799(10) 0.4362(7) 0.2114(7) 0.022(2) Uani 1 1 d . . . . .
C30B C 0.9728(12) 0.7707(7) 0.3050(8) 0.029(3) Uani 1 1 d . . . . .
C31A C 0.6084(11) 0.3478(7) 0.2082(7) 0.023(2) Uani 1 1 d . . . . .
H31A H 0.548204 0.310908 0.223936 0.028 Uiso 1 1 calc R U . . .
C31B C 0.9137(12) 0.6848(7) 0.2863(7) 0.027(2) Uani 1 1 d . . . . .
H31B H 0.830515 0.671781 0.254335 0.032 Uiso 1 1 calc R U . . .
C32A C 0.7263(11) 0.3138(7) 0.1818(7) 0.027(2) Uani 1 1 d . . . . .
H32A H 0.743742 0.252951 0.177458 0.032 Uiso 1 1 calc R U . . .
C32B C 0.9799(15) 0.6201(7) 0.3157(7) 0.033(3) Uani 1 1 d . . . . .
H32B H 0.942607 0.561536 0.302897 0.040 Uiso 1 1 calc R U . . .
C33A C 0.8178(10) 0.3675(8) 0.1617(7) 0.026(2) Uani 1 1 d . . . . .
H33A H 0.898583 0.344174 0.145041 0.031 Uiso 1 1 calc R U . . .
C33B C 1.0993(15) 0.6393(9) 0.3633(9) 0.040(3) Uani 1 1 d . . . . .
H33B H 1.143954 0.593828 0.382472 0.048 Uiso 1 1 calc R U . . .
C34A C 0.7903(11) 0.4560(8) 0.1663(7) 0.025(2) Uani 1 1 d . . . . .
H34A H 0.852439 0.493260 0.152443 0.030 Uiso 1 1 calc R U . . .
C34B C 1.1549(12) 0.7249(9) 0.3835(10) 0.041(3) Uani 1 1 d . . . . .
H34B H 1.236435 0.738040 0.417062 0.049 Uiso 1 1 calc R U . . .
C35A C 0.6723(10) 0.4905(7) 0.1911(7) 0.026(2) Uani 1 1 d . . . . .
H35A H 0.654473 0.551177 0.194307 0.031 Uiso 1 1 calc R U . . .
C35B C 1.0906(12) 0.7910(8) 0.3542(10) 0.043(4) Uani 1 1 d . . . . .
H35B H 1.127481 0.849765 0.368066 0.051 Uiso 1 1 calc R U . . .
C24A C 0.4770(11) 0.6192(7) 0.3057(8) 0.028(3) Uani 1 1 d . . . . .
C24B C 0.7701(11) 0.7831(6) 0.1511(8) 0.026(2) 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
N1A C1A 1.340(15) . ?
N1A C5A 1.353(13) . ?
N1A Pt1A 2.009(8) . ?
N1B C1B 1.350(16) . ?
N1B C5B 1.359(14) . ?
N1B Pt1B 2.026(8) . ?
C1A C2A 1.380(15) . ?
C1A C12A 1.476(14) . ?
C1B C2B 1.402(17) . ?
C1B C12B 1.480(16) . ?
C2A C3A 1.363(17) . ?
C2B C3B 1.393(17) . ?
C3A C4A 1.384(18) . ?
C3B C4B 1.370(18) . ?
C4A C5A 1.406(14) . ?
C4B C5B 1.390(13) . ?
C5A C6A 1.480(16) . ?
C5B C6B 1.467(17) . ?
C6A C11A 1.384(15) . ?
C6A C7A 1.428(14) . ?
C6B C11B 1.401(17) . ?
C6B C7B 1.443(14) . ?
C8A C9A 1.390(17) . ?
C8A C7A 1.398(16) . ?
C8B C9B 1.390(19) . ?
C8B C7B 1.391(18) . ?
C9A C10A 1.395(19) . ?
C9B C10B 1.39(2) . ?
C10A C11A 1.362(19) . ?
C10B C11B 1.373(19) . ?
C7A Pt1A 2.080(10) . ?
C7B Pt1B 2.078(13) . ?
Pt1A C13A 2.072(10) . ?
Pt1A Sb1A 2.5040(7) . ?
Pt1B C13B 2.063(13) . ?
Pt1B Sb1B 2.4912(8) . ?
Sb1A C18A 2.121(11) . ?
Sb1A C30A 2.129(10) . ?
Sb1A C24A 2.142(10) . ?
Sb1B C18B 2.136(13) . ?
Sb1B C30B 2.140(12) . ?
Sb1B C24B 2.142(12) . ?
C12A C17A 1.389(17) . ?
C12A C13A 1.423(14) . ?
C12B C17B 1.387(18) . ?
C12B C13B 1.422(16) . ?
C13A C14A 1.422(15) . ?
C13B C14B 1.409(16) . ?
C14A C15A 1.388(18) . ?
C14B C15B 1.37(2) . ?
C15A C16A 1.381(18) . ?
C15B C16B 1.428(19) . ?
C16A C17A 1.383(16) . ?
C16B C17B 1.375(16) . ?
C18A C23A 1.400(14) . ?
C18A C19A 1.420(13) . ?
C18B C19B 1.327(17) . ?
C18B C23B 1.399(17) . ?
C19A C20A 1.373(16) . ?
C19B C20B 1.402(19) . ?
C20A C21A 1.392(16) . ?
C20B C21B 1.33(2) . ?
C21A C22A 1.334(14) . ?
C21B C22B 1.414(19) . ?
C22A C23A 1.410(16) . ?
C22B C23B 1.385(19) . ?
C25A C26A 1.390(17) . ?
C25A C24A 1.400(19) . ?
C25B C26B 1.364(18) . ?
C25B C24B 1.414(15) . ?
C26A C27A 1.38(3) . ?
C26B C27B 1.385(17) . ?
C27A C28A 1.36(3) . ?
C27B C28B 1.385(17) . ?
C28A C29A 1.397(18) . ?
C28B C29B 1.42(2) . ?
C29A C24A 1.400(17) . ?
C29B C24B 1.366(16) . ?
C30A C31A 1.394(14) . ?
C30A C35A 1.399(14) . ?
C30B C35B 1.380(19) . ?
C30B C31B 1.410(15) . ?
C31A C32A 1.398(15) . ?
C31B C32B 1.382(16) . ?
C32A C33A 1.384(15) . ?
C32B C33B 1.38(2) . ?
C33A C34A 1.390(16) . ?
C33B C34B 1.39(2) . ?
C34A C35A 1.392(15) . ?
C34B C35B 1.391(18) . ?

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
C1A N1A C5A 122.8(9) . . ?
C1A N1A Pt1A 118.6(7) . . ?
C5A N1A Pt1A 118.5(7) . . ?
C1B N1B C5B 124.2(9) . . ?
C1B N1B Pt1B 117.7(7) . . ?
C5B N1B Pt1B 117.7(8) . . ?
N1A C1A C2A 118.4(10) . . ?
N1A C1A C12A 113.3(9) . . ?
C2A C1A C12A 128.2(11) . . ?
N1B C1B C2B 118.9(11) . . ?
N1B C1B C12B 113.5(11) . . ?
C2B C1B C12B 127.7(12) . . ?
C3A C2A C1A 120.8(12) . . ?
C3B C2B C1B 117.4(13) . . ?
C2A C3A C4A 120.6(11) . . ?
C4B C3B C2B 121.9(10) . . ?
C3A C4A C5A 117.7(11) . . ?
C3B C4B C5B 119.7(10) . . ?
N1A C5A C4A 119.5(11) . . ?
N1A C5A C6A 113.3(9) . . ?
C4A C5A C6A 127.2(10) . . ?
N1B C5B C4B 117.5(11) . . ?
N1B C5B C6B 113.2(9) . . ?
C4B C5B C6B 129.3(11) . . ?
C11A C6A C7A 122.3(11) . . ?
C11A C6A C5A 121.7(10) . . ?
C7A C6A C5A 116.0(9) . . ?
C11B C6B C7B 120.9(11) . . ?
C11B C6B C5B 121.8(9) . . ?
C7B C6B C5B 117.4(11) . . ?
C9A C8A C7A 122.9(10) . . ?
C9B C8B C7B 121.5(11) . . ?
C8A C9A C10A 118.7(12) . . ?
C8B C9B C10B 121.0(13) . . ?
C11A C10A C9A 121.1(12) . . ?
C11B C10B C9B 119.6(13) . . ?
C8A C7A C6A 115.3(9) . . ?
C8A C7A Pt1A 133.0(7) . . ?
C6A C7A Pt1A 111.7(8) . . ?
C8B C7B C6B 116.7(11) . . ?
C8B C7B Pt1B 132.9(8) . . ?
C6B C7B Pt1B 110.4(9) . . ?
N1A Pt1A C13A 80.2(4) . . ?
N1A Pt1A C7A 80.4(4) . . ?
C13A Pt1A C7A 160.6(4) . . ?
N1A Pt1A Sb1A 172.9(2) . . ?
C13A Pt1A Sb1A 101.9(3) . . ?
C7A Pt1A Sb1A 97.4(3) . . ?
N1B Pt1B C13B 80.5(4) . . ?
N1B Pt1B C7B 81.0(4) . . ?
C13B Pt1B C7B 161.5(4) . . ?
N1B Pt1B Sb1B 170.2(2) . . ?
C13B Pt1B Sb1B 102.7(3) . . ?
C7B Pt1B Sb1B 95.7(3) . . ?
C18A Sb1A C30A 102.8(4) . . ?
C18A Sb1A C24A 95.6(5) . . ?
C30A Sb1A C24A 96.5(4) . . ?
C18A Sb1A Pt1A 110.9(3) . . ?
C30A Sb1A Pt1A 119.8(3) . . ?
C24A Sb1A Pt1A 126.6(3) . . ?
C18B Sb1B C30B 95.5(5) . . ?
C18B Sb1B C24B 104.3(5) . . ?
C30B Sb1B C24B 99.3(4) . . ?
C18B Sb1B Pt1B 117.9(3) . . ?
C30B Sb1B Pt1B 127.2(3) . . ?
C24B Sb1B Pt1B 109.2(3) . . ?
C10A C11A C6A 119.5(11) . . ?
C10B C11B C6B 120.3(10) . . ?
C17A C12A C13A 121.9(10) . . ?
C17A C12A C1A 122.2(10) . . ?
C13A C12A C1A 115.9(10) . . ?
C17B C12B C13B 122.5(10) . . ?
C17B C12B C1B 121.4(10) . . ?
C13B C12B C1B 116.0(12) . . ?
C14A C13A C12A 115.3(10) . . ?
C14A C13A Pt1A 132.8(8) . . ?
C12A C13A Pt1A 111.7(7) . . ?
C14B C13B C12B 114.3(12) . . ?
C14B C13B Pt1B 133.5(10) . . ?
C12B C13B Pt1B 112.2(8) . . ?
C15A C14A C13A 121.9(11) . . ?
C15B C14B C13B 123.9(13) . . ?
C16A C15A C14A 120.9(11) . . ?
C14B C15B C16B 120.1(12) . . ?
C15A C16A C17A 119.1(13) . . ?
C17B C16B C15B 117.4(13) . . ?
C16A C17A C12A 120.8(12) . . ?
C16B C17B C12B 121.7(11) . . ?
C23A C18A C19A 118.6(10) . . ?
C23A C18A Sb1A 123.0(7) . . ?
C19A C18A Sb1A 117.6(8) . . ?
C19B C18B C23B 117.3(12) . . ?
C19B C18B Sb1B 120.5(10) . . ?
C23B C18B Sb1B 119.7(9) . . ?
C20A C19A C18A 119.5(10) . . ?
C18B C19B C20B 121.3(13) . . ?
C19A C20A C21A 120.3(10) . . ?
C21B C20B C19B 121.7(14) . . ?
C22A C21A C20A 121.7(11) . . ?
C20B C21B C22B 115.9(14) . . ?
C21A C22A C23A 119.8(10) . . ?
C23B C22B C21B 120.5(15) . . ?
C18A C23A C22A 120.0(9) . . ?
C22B C23B C18B 119.3(13) . . ?
C26A C25A C24A 119.1(15) . . ?
C26B C25B C24B 120.8(11) . . ?
C27A C26A C25A 120.4(17) . . ?
C25B C26B C27B 120.2(11) . . ?
C28A C27A C26A 119.9(13) . . ?
C28B C27B C26B 119.8(13) . . ?
C27A C28A C29A 122.3(16) . . ?
C27B C28B C29B 120.3(12) . . ?
C28A C29A C24A 117.4(15) . . ?
C24B C29B C28B 119.1(12) . . ?
C31A C30A C35A 119.4(10) . . ?
C31A C30A Sb1A 119.4(8) . . ?
C35A C30A Sb1A 121.2(8) . . ?
C35B C30B C31B 121.1(11) . . ?
C35B C30B Sb1B 118.9(8) . . ?
C31B C30B Sb1B 119.8(9) . . ?
C30A C31A C32A 119.6(10) . . ?
C32B C31B C30B 118.3(12) . . ?
C33A C32A C31A 121.0(10) . . ?
C33B C32B C31B 121.0(12) . . ?
C32A C33A C34A 119.3(10) . . ?
C32B C33B C34B 120.4(12) . . ?
C33A C34A C35A 120.5(10) . . ?
C33B C34B C35B 119.7(13) . . ?
C34A C35A C30A 120.2(10) . . ?
C30B C35B C34B 119.5(12) . . ?
C25A C24A C29A 120.9(11) . . ?
C25A C24A Sb1A 118.7(9) . . ?
C29A C24A Sb1A 120.0(9) . . ?
C29B C24B C25B 119.8(12) . . ?
C29B C24B Sb1B 119.8(9) . . ?
C25B C24B Sb1B 120.4(9) . . ?

_refine_diff_density_max         3.746
_refine_diff_density_min         -6.415
_refine_diff_density_rms         0.333


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: CH2Cl2'
_exptl_crystal_preparation       Luminescent
