# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_e3159a
_database_code_depnum_ccdc_archive 'CCDC 1508104'
_audit_update_record             
;
2017-02-22 deposited with the CCDC.
2017-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H38 Cl2 Co N2 P2 Pt'
_chemical_formula_sum            'C50 H38 Cl2 Co N2 P2 Pt'
_chemical_formula_weight         1053.68

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   9.5376(4)
_cell_length_b                   9.6186(4)
_cell_length_c                   24.0705(11)
_cell_angle_alpha                95.2427(18)
_cell_angle_beta                 91.7776(18)
_cell_angle_gamma                98.5725(18)
_cell_volume                     2172.15(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    62000
_cell_measurement_theta_min      2.5
_cell_measurement_theta_max      25.

_exptl_crystal_description       prism
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_F_000             1042
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.833
_shelx_estimated_absorpt_T_min   0.803
_shelx_estimated_absorpt_T_max   0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_T_max  0.803
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62688
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.151
_diffrn_reflns_theta_max         30.169
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.900
_diffrn_measured_fraction_theta_full 0.952
_diffrn_reflns_Laue_measured_fraction_max 0.900
_diffrn_reflns_Laue_measured_fraction_full 0.952
_diffrn_reflns_point_group_measured_fraction_max 0.900
_diffrn_reflns_point_group_measured_fraction_full 0.952
_reflns_number_total             11597
_reflns_number_gt                9168
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0244P)²+2.0069P] 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         11597
_refine_ls_number_parameters     526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0290
_refine_ls_wR_factor_ref         0.0597
_refine_ls_wR_factor_gt          0.0550
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_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
Pt1 Pt 0.0000 0.0000 0.0000 0.01576(4) Uani 1 2 d S . P . .
P1 P 0.15725(7) 0.15655(7) 0.05900(3) 0.01588(14) Uani 1 1 d . . . . .
C1 C 0.0940(3) 0.1862(3) 0.12915(11) 0.0185(5) Uani 1 1 d . . . . .
C2 C -0.0507(3) 0.1664(3) 0.13689(12) 0.0250(6) Uani 1 1 d . . . . .
H2 H -0.1157 0.1434 0.1055 0.030 Uiso 1 1 calc R U . . .
C3 C -0.1013(3) 0.1801(3) 0.19026(13) 0.0326(7) Uani 1 1 d . . . . .
H3 H -0.2006 0.1651 0.1953 0.039 Uiso 1 1 calc R U . . .
C4 C -0.0091(3) 0.2151(3) 0.23548(13) 0.0324(7) Uani 1 1 d . . . . .
H4 H -0.0442 0.2241 0.2719 0.039 Uiso 1 1 calc R U . . .
C5 C 0.1359(3) 0.2375(3) 0.22834(12) 0.0339(7) Uani 1 1 d . . . . .
H5 H 0.2001 0.2623 0.2599 0.041 Uiso 1 1 calc R U . . .
C6 C 0.1869(3) 0.2237(3) 0.17528(12) 0.0277(6) Uani 1 1 d . . . . .
H6 H 0.2863 0.2400 0.1704 0.033 Uiso 1 1 calc R U . . .
C7 C 0.2031(3) 0.3299(3) 0.03492(11) 0.0178(5) Uani 1 1 d . . . . .
C8 C 0.2994(3) 0.3488(3) -0.00730(12) 0.0242(6) Uani 1 1 d . . . . .
H8 H 0.3457 0.2727 -0.0211 0.029 Uiso 1 1 calc R U . . .
C9 C 0.3275(3) 0.4772(3) -0.02902(13) 0.0298(7) Uani 1 1 d . . . . .
H9 H 0.3942 0.4899 -0.0573 0.036 Uiso 1 1 calc R U . . .
C10 C 0.2589(3) 0.5869(3) -0.00971(13) 0.0319(7) Uani 1 1 d . . . . .
H10 H 0.2783 0.6754 -0.0247 0.038 Uiso 1 1 calc R U . . .
C11 C 0.1627(4) 0.5689(3) 0.03120(13) 0.0347(7) Uani 1 1 d . . . . .
H11 H 0.1148 0.6446 0.0441 0.042 Uiso 1 1 calc R U . . .
C12 C 0.1348(3) 0.4404(3) 0.05396(12) 0.0252(6) Uani 1 1 d . . . . .
H12 H 0.0688 0.4287 0.0826 0.030 Uiso 1 1 calc R U . . .
C13 C 0.3262(3) 0.0955(3) 0.07035(11) 0.0190(5) Uani 1 1 d . . . . .
C14 C 0.4486(3) 0.1902(3) 0.08790(12) 0.0250(6) Uani 1 1 d . . . . .
H14 H 0.4454 0.2888 0.0918 0.030 Uiso 1 1 calc R U . . .
C15 C 0.5734(3) 0.1415(3) 0.09957(13) 0.0293(7) Uani 1 1 d . . . . .
H15 H 0.6558 0.2066 0.1119 0.035 Uiso 1 1 calc R U . . .
C16 C 0.5797(3) -0.0020(3) 0.09342(14) 0.0332(7) Uani 1 1 d . . . . .
H16 H 0.6666 -0.0354 0.1008 0.040 Uiso 1 1 calc R U . . .
C17 C 0.4588(3) -0.0963(3) 0.07646(14) 0.0335(7) Uani 1 1 d . . . . .
H17 H 0.4621 -0.1949 0.0730 0.040 Uiso 1 1 calc R U . . .
C18 C 0.3333(3) -0.0477(3) 0.06446(12) 0.0259(6) Uani 1 1 d . . . . .
H18 H 0.2512 -0.1131 0.0521 0.031 Uiso 1 1 calc R U . . .
C19 C -0.0324(3) -0.1208(3) 0.06282(11) 0.0193(6) Uani 1 1 d . . . . .
C20 C -0.0500(3) -0.1919(3) 0.10083(12) 0.0234(6) Uani 1 1 d . . . . .
C21 C -0.0760(3) -0.2836(3) 0.14451(11) 0.0221(6) Uani 1 1 d . . . . .
C22 C -0.2122(3) -0.3126(3) 0.16419(12) 0.0250(6) Uani 1 1 d . . . . .
H22 H -0.2853 -0.2697 0.1482 0.030 Uiso 1 1 calc R U . . .
N1 N -0.2455(3) -0.3969(2) 0.20410(10) 0.0262(5) Uani 1 1 d . . . . .
C23 C -0.1437(3) -0.4597(3) 0.22605(13) 0.0310(7) Uani 1 1 d . . . . .
H23 H -0.1666 -0.5213 0.2542 0.037 Uiso 1 1 calc R U . . .
C24 C -0.0062(3) -0.4375(3) 0.20882(13) 0.0313(7) Uani 1 1 d . . . . .
H24 H 0.0643 -0.4835 0.2249 0.038 Uiso 1 1 calc R U . . .
C25 C 0.0281(3) -0.3483(3) 0.16821(12) 0.0270(6) Uani 1 1 d . . . . .
H25 H 0.1228 -0.3312 0.1565 0.032 Uiso 1 1 calc R U . . .
Co1 Co -0.44368(4) -0.40213(4) 0.23352(2) 0.02727(9) Uani 1 1 d . . . . .
Cl1 Cl -0.59888(9) -0.41914(9) 0.16171(4) 0.0428(2) Uani 1 1 d . . . . .
Cl2 Cl -0.47343(11) -0.55530(10) 0.29777(4) 0.0510(2) Uani 1 1 d . . . . .
Pt2 Pt 0.0000 0.0000 0.5000 0.01896(4) Uani 1 2 d S . P . .
P2 P 0.16218(7) 0.12450(7) 0.44745(3) 0.01881(14) Uani 1 1 d . . . . .
C26 C 0.1952(3) 0.0050(3) 0.38812(11) 0.0208(6) Uani 1 1 d . . . . .
C27 C 0.1240(3) 0.0030(3) 0.33692(12) 0.0274(6) Uani 1 1 d . . . . .
H27 H 0.0616 0.0695 0.3318 0.033 Uiso 1 1 calc R U . . .
C28 C 0.1432(4) -0.0956(3) 0.29315(13) 0.0335(7) Uani 1 1 d . . . . .
H28 H 0.0945 -0.0961 0.2581 0.040 Uiso 1 1 calc R U . . .
C29 C 0.2327(3) -0.1925(3) 0.30055(13) 0.0322(7) Uani 1 1 d . . . . .
H29 H 0.2470 -0.2593 0.2705 0.039 Uiso 1 1 calc R U . . .
C30 C 0.3020(3) -0.1926(3) 0.35179(13) 0.0312(7) Uani 1 1 d . . . . .
H30 H 0.3631 -0.2603 0.3569 0.037 Uiso 1 1 calc R U . . .
C31 C 0.2831(3) -0.0954(3) 0.39550(12) 0.0271(6) Uani 1 1 d . . . . .
H31 H 0.3303 -0.0969 0.4307 0.032 Uiso 1 1 calc R U . . .
C32 C 0.3355(3) 0.2032(3) 0.47831(11) 0.0221(6) Uani 1 1 d . . . . .
C33 C 0.4601(3) 0.1989(3) 0.44997(13) 0.0333(7) Uani 1 1 d . . . . .
H33 H 0.4575 0.1456 0.4146 0.040 Uiso 1 1 calc R U . . .
C34 C 0.5888(3) 0.2727(4) 0.47329(15) 0.0390(8) Uani 1 1 d . . . . .
H34 H 0.6739 0.2675 0.4543 0.047 Uiso 1 1 calc R U . . .
C35 C 0.5922(4) 0.3521(3) 0.52337(14) 0.0378(8) Uani 1 1 d . . . . .
H35 H 0.6799 0.4033 0.5388 0.045 Uiso 1 1 calc R U . . .
C36 C 0.4700(4) 0.3590(3) 0.55194(13) 0.0341(7) Uani 1 1 d . . . . .
H36 H 0.4735 0.4150 0.5867 0.041 Uiso 1 1 calc R U . . .
C37 C 0.3420(3) 0.2840(3) 0.52982(12) 0.0261(6) Uani 1 1 d . . . . .
H37 H 0.2581 0.2876 0.5498 0.031 Uiso 1 1 calc R U . . .
C38 C 0.1041(3) 0.2766(3) 0.41915(11) 0.0220(6) Uani 1 1 d . . . . .
C39 C 0.1827(3) 0.3454(3) 0.37909(12) 0.0270(6) Uani 1 1 d . . . . .
H39 H 0.2644 0.3103 0.3655 0.032 Uiso 1 1 calc R U . . .
C40 C 0.1425(4) 0.4638(3) 0.35922(14) 0.0377(8) Uani 1 1 d . . . . .
H40 H 0.1950 0.5085 0.3311 0.045 Uiso 1 1 calc R U . . .
C41 C 0.0264(4) 0.5178(3) 0.37985(16) 0.0461(9) Uani 1 1 d . . . . .
H41 H -0.0007 0.6000 0.3662 0.055 Uiso 1 1 calc R U . . .
C42 C -0.0499(4) 0.4525(4) 0.42009(18) 0.0475(9) Uani 1 1 d . . . . .
H42 H -0.1294 0.4902 0.4345 0.057 Uiso 1 1 calc R U . . .
C43 C -0.0116(3) 0.3314(3) 0.43994(14) 0.0348(7) Uani 1 1 d . . . . .
H43 H -0.0650 0.2865 0.4677 0.042 Uiso 1 1 calc R U . . .
C44 C -0.1381(3) -0.0057(3) 0.43505(11) 0.0229(6) Uani 1 1 d . . . . .
C45 C -0.2143(3) -0.0098(3) 0.39448(12) 0.0259(6) Uani 1 1 d . . . . .
C46 C -0.3027(3) -0.0304(3) 0.34384(12) 0.0245(6) Uani 1 1 d . . . . .
C47 C -0.3373(3) -0.1669(3) 0.31709(12) 0.0262(6) Uani 1 1 d . . . . .
H47 H -0.3030 -0.2420 0.3336 0.031 Uiso 1 1 calc R U . . .
N2 N -0.4162(3) -0.1975(3) 0.26944(10) 0.0263(5) Uani 1 1 d . . . . .
C48 C -0.4654(3) -0.0916(3) 0.24607(13) 0.0315(7) Uani 1 1 d . . . . .
H48 H -0.5214 -0.1121 0.2122 0.038 Uiso 1 1 calc R U . . .
C49 C -0.4369(3) 0.0464(3) 0.27001(13) 0.0318(7) Uani 1 1 d . . . . .
H49 H -0.4735 0.1191 0.2527 0.038 Uiso 1 1 calc R U . . .
C50 C -0.3551(3) 0.0783(3) 0.31912(12) 0.0291(7) Uani 1 1 d . . . . .
H50 H -0.3348 0.1729 0.3358 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 C19 1.994(3) . ?
Pt1 C19 1.994(3) 2 ?
Pt1 P1 2.3102(6) 2 ?
Pt1 P1 2.3102(6) . ?
P1 C7 1.811(3) . ?
P1 C13 1.817(3) . ?
P1 C1 1.823(3) . ?
C1 C2 1.385(4) . ?
C1 C6 1.386(4) . ?
C2 C3 1.388(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.363(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.383(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.378(4) . ?
C7 C8 1.397(4) . ?
C8 C9 1.378(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.372(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.384(4) . ?
C13 C14 1.397(4) . ?
C14 C15 1.372(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.193(4) . ?
C20 C21 1.437(4) . ?
C21 C25 1.383(4) . ?
C21 C22 1.395(4) . ?
C22 N1 1.329(4) . ?
C22 H22 0.9500 . ?
N1 C23 1.337(4) . ?
N1 Co1 2.034(2) . ?
C23 C24 1.379(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.374(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
Co1 N2 2.052(2) . ?
Co1 Cl1 2.2188(9) . ?
Co1 Cl2 2.2275(10) . ?
Pt2 C44 2.004(3) 2_556 ?
Pt2 C44 2.004(3) . ?
Pt2 P2 2.2962(7) 2_556 ?
Pt2 P2 2.2962(7) . ?
P2 C26 1.815(3) . ?
P2 C32 1.818(3) . ?
P2 C38 1.820(3) . ?
C26 C27 1.386(4) . ?
C26 C31 1.389(4) . ?
C27 C28 1.387(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.374(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.381(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.377(4) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.392(4) . ?
C32 C37 1.396(4) . ?
C33 C34 1.397(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.364(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.379(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.386(4) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C43 1.381(4) . ?
C38 C39 1.394(4) . ?
C39 C40 1.375(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.372(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.391(5) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.194(4) . ?
C45 C46 1.442(4) . ?
C46 C50 1.396(4) . ?
C46 C47 1.397(4) . ?
C47 N2 1.337(4) . ?
C47 H47 0.9500 . ?
N2 C48 1.344(4) . ?
C48 C49 1.382(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.380(4) . ?
C49 H49 0.9500 . ?
C50 H50 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
C19 Pt1 C19 180.0 . 2 ?
C19 Pt1 P1 91.87(7) . 2 ?
C19 Pt1 P1 88.13(7) 2 2 ?
C19 Pt1 P1 88.13(7) . . ?
C19 Pt1 P1 91.87(7) 2 . ?
P1 Pt1 P1 180.0 2 . ?
C7 P1 C13 104.84(12) . . ?
C7 P1 C1 106.02(12) . . ?
C13 P1 C1 103.90(12) . . ?
C7 P1 Pt1 114.61(9) . . ?
C13 P1 Pt1 113.08(9) . . ?
C1 P1 Pt1 113.40(9) . . ?
C2 C1 C6 119.0(2) . . ?
C2 C1 P1 119.3(2) . . ?
C6 C1 P1 121.7(2) . . ?
C1 C2 C3 120.3(3) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.9(3) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 120.4(3) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
C12 C7 C8 119.3(2) . . ?
C12 C7 P1 120.9(2) . . ?
C8 C7 P1 119.6(2) . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 120.0(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.4(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 119.8(3) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C18 C13 C14 118.9(3) . . ?
C18 C13 P1 119.8(2) . . ?
C14 C13 P1 121.2(2) . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.3(3) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C18 C17 C16 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C13 120.5(3) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C20 C19 Pt1 179.0(2) . . ?
C19 C20 C21 176.8(3) . . ?
C25 C21 C22 117.0(3) . . ?
C25 C21 C20 123.2(3) . . ?
C22 C21 C20 119.8(3) . . ?
N1 C22 C21 123.6(3) . . ?
N1 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
C22 N1 C23 118.5(3) . . ?
C22 N1 Co1 116.6(2) . . ?
C23 N1 Co1 124.56(19) . . ?
N1 C23 C24 121.7(3) . . ?
N1 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C25 C24 C23 119.6(3) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C24 C25 C21 119.6(3) . . ?
C24 C25 H25 120.2 . . ?
C21 C25 H25 120.2 . . ?
N1 Co1 N2 96.83(9) . . ?
N1 Co1 Cl1 108.86(8) . . ?
N2 Co1 Cl1 107.72(7) . . ?
N1 Co1 Cl2 109.16(8) . . ?
N2 Co1 Cl2 111.33(7) . . ?
Cl1 Co1 Cl2 120.36(4) . . ?
C44 Pt2 C44 180.0 2_556 . ?
C44 Pt2 P2 86.13(8) 2_556 2_556 ?
C44 Pt2 P2 93.87(8) . 2_556 ?
C44 Pt2 P2 93.87(8) 2_556 . ?
C44 Pt2 P2 86.13(8) . . ?
P2 Pt2 P2 180.0 2_556 . ?
C26 P2 C32 106.18(13) . . ?
C26 P2 C38 106.61(13) . . ?
C32 P2 C38 100.73(12) . . ?
C26 P2 Pt2 107.17(9) . . ?
C32 P2 Pt2 120.04(9) . . ?
C38 P2 Pt2 115.11(9) . . ?
C27 C26 C31 119.1(3) . . ?
C27 C26 P2 121.2(2) . . ?
C31 C26 P2 119.4(2) . . ?
C26 C27 C28 120.4(3) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C29 C28 C27 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 119.9(3) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 120.5(3) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C31 C26 120.0(3) . . ?
C30 C31 H31 120.0 . . ?
C26 C31 H31 120.0 . . ?
C33 C32 C37 118.7(3) . . ?
C33 C32 P2 122.5(2) . . ?
C37 C32 P2 118.5(2) . . ?
C32 C33 C34 120.3(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C35 C34 C33 120.0(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.7(3) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C37 119.9(3) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C36 C37 C32 120.5(3) . . ?
C36 C37 H37 119.8 . . ?
C32 C37 H37 119.8 . . ?
C43 C38 C39 119.3(3) . . ?
C43 C38 P2 120.5(2) . . ?
C39 C38 P2 120.0(2) . . ?
C40 C39 C38 120.3(3) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C39 C40 C41 120.3(3) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C42 C41 C40 119.8(3) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 120.5(3) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C38 C43 C42 119.9(3) . . ?
C38 C43 H43 120.1 . . ?
C42 C43 H43 120.1 . . ?
C45 C44 Pt2 176.4(2) . . ?
C44 C45 C46 173.6(3) . . ?
C50 C46 C47 117.4(3) . . ?
C50 C46 C45 124.1(3) . . ?
C47 C46 C45 118.5(3) . . ?
N2 C47 C46 123.5(3) . . ?
N2 C47 H47 118.3 . . ?
C46 C47 H47 118.3 . . ?
C47 N2 C48 118.4(3) . . ?
C47 N2 Co1 117.7(2) . . ?
C48 N2 Co1 123.7(2) . . ?
N2 C48 C49 121.8(3) . . ?
N2 C48 H48 119.1 . . ?
C49 C48 H48 119.1 . . ?
C50 C49 C48 119.9(3) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.1 . . ?
C49 C50 C46 119.0(3) . . ?
C49 C50 H50 120.5 . . ?
C46 C50 H50 120.5 . . ?

_refine_diff_density_max         1.036
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.105

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_e3205a
_database_code_depnum_ccdc_archive 'CCDC 1508103'
_audit_update_record             
;
2017-02-22 deposited with the CCDC.
2017-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H38 Cl2 N2 P2 Pt Zn'
_chemical_formula_sum            'C50 H38 Cl2 N2 P2 Pt Zn'
_chemical_formula_weight         1060.12

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   9.5502(4)
_cell_length_b                   9.6247(4)
_cell_length_c                   24.0632(8)
_cell_angle_alpha                95.2473(10)
_cell_angle_beta                 91.6860(10)
_cell_angle_gamma                98.5240(11)
_cell_volume                     2176.16(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    20000
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      27.54

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_F_000             1048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    3.995
_shelx_estimated_absorpt_T_min   0.767
_shelx_estimated_absorpt_T_max   0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20373
_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.150
_diffrn_reflns_theta_max         30.058
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measured_fraction_theta_full 0.944
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_Laue_measured_fraction_full 0.944
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_point_group_measured_fraction_full 0.944
_reflns_number_total             11327
_reflns_number_gt                9058
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0429P)²+0.8384P] 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         11327
_refine_ls_number_parameters     526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0363
_refine_ls_wR_factor_ref         0.0850
_refine_ls_wR_factor_gt          0.0797
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.0000 1.0000 0.5000 0.01767(5) Uani 1 2 d S . P . .
P1 P 0.84293(10) 0.84327(9) 0.44108(4) 0.01772(18) Uani 1 1 d . . . . .
C1 C 0.9067(4) 0.8130(3) 0.37062(14) 0.0213(7) Uani 1 1 d . . . . .
C2 C 1.0509(4) 0.8331(4) 0.36305(15) 0.0277(8) Uani 1 1 d . . . . .
H2 H 1.1153 0.8564 0.3945 0.033 Uiso 1 1 calc R U . . .
C3 C 1.1023(5) 0.8193(5) 0.30971(17) 0.0362(10) Uani 1 1 d . . . . .
H3 H 1.2016 0.8340 0.3048 0.043 Uiso 1 1 calc R U . . .
C4 C 1.0108(5) 0.7849(4) 0.26441(17) 0.0351(10) Uani 1 1 d . . . . .
H4 H 1.0462 0.7766 0.2280 0.042 Uiso 1 1 calc R U . . .
C5 C 0.8650(5) 0.7618(5) 0.27152(16) 0.0382(10) Uani 1 1 d . . . . .
H5 H 0.8009 0.7358 0.2401 0.046 Uiso 1 1 calc R U . . .
C6 C 0.8143(4) 0.7768(4) 0.32469(15) 0.0293(8) Uani 1 1 d . . . . .
H6 H 0.7151 0.7621 0.3296 0.035 Uiso 1 1 calc R U . . .
C7 C 0.6736(4) 0.9042(4) 0.43011(14) 0.0205(7) Uani 1 1 d . . . . .
C8 C 0.5518(4) 0.8090(4) 0.41240(15) 0.0266(8) Uani 1 1 d . . . . .
H8 H 0.5551 0.7104 0.4086 0.032 Uiso 1 1 calc R U . . .
C9 C 0.4274(4) 0.8579(4) 0.40054(17) 0.0318(9) Uani 1 1 d . . . . .
H9 H 0.3451 0.7930 0.3883 0.038 Uiso 1 1 calc R U . . .
C10 C 0.4211(5) 1.0017(4) 0.40640(18) 0.0342(9) Uani 1 1 d . . . . .
H10 H 0.3345 1.0350 0.3986 0.041 Uiso 1 1 calc R U . . .
C11 C 0.5414(5) 1.0964(4) 0.42366(18) 0.0353(10) Uani 1 1 d . . . . .
H11 H 0.5376 1.1948 0.4275 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6670(4) 1.0479(4) 0.43526(16) 0.0269(8) Uani 1 1 d . . . . .
H12 H 0.7495 1.1134 0.4469 0.032 Uiso 1 1 calc R U . . .
C13 C 0.7966(4) 0.6698(3) 0.46510(14) 0.0196(7) Uani 1 1 d . . . . .
C14 C 0.8653(4) 0.5599(4) 0.44589(15) 0.0265(8) Uani 1 1 d . . . . .
H14 H 0.9315 0.5719 0.4174 0.032 Uiso 1 1 calc R U . . .
C15 C 0.8372(5) 0.4301(4) 0.46865(18) 0.0373(10) Uani 1 1 d . . . . .
H15 H 0.8847 0.3543 0.4555 0.045 Uiso 1 1 calc R U . . .
C16 C 0.7420(5) 0.4120(4) 0.50957(17) 0.0333(9) Uani 1 1 d . . . . .
H16 H 0.7230 0.3236 0.5247 0.040 Uiso 1 1 calc R U . . .
C17 C 0.6733(5) 0.5219(4) 0.52901(17) 0.0315(9) Uani 1 1 d . . . . .
H17 H 0.6070 0.5090 0.5575 0.038 Uiso 1 1 calc R U . . .
C18 C 0.7006(4) 0.6512(4) 0.50719(16) 0.0270(8) Uani 1 1 d . . . . .
H18 H 0.6538 0.7270 0.5209 0.032 Uiso 1 1 calc R U . . .
C19 C 0.9667(4) 0.8795(4) 0.56295(15) 0.0212(7) Uani 1 1 d . . . . .
C20 C 0.9492(4) 0.8080(4) 0.60105(16) 0.0257(8) Uani 1 1 d . . . . .
C21 C 0.9235(4) 0.7166(4) 0.64441(14) 0.0216(7) Uani 1 1 d . . . . .
C22 C 1.0286(4) 0.6524(4) 0.66852(15) 0.0277(8) Uani 1 1 d . . . . .
H22 H 1.1232 0.6701 0.6569 0.033 Uiso 1 1 calc R U . . .
C23 C 0.9942(5) 0.5631(4) 0.70930(17) 0.0324(9) Uani 1 1 d . . . . .
H23 H 1.0648 0.5178 0.7257 0.039 Uiso 1 1 calc R U . . .
C24 C 0.8574(5) 0.5401(4) 0.72610(17) 0.0312(9) Uani 1 1 d . . . . .
H24 H 0.8348 0.4787 0.7544 0.037 Uiso 1 1 calc R U . . .
N1 N 0.7543(4) 0.6015(3) 0.70391(13) 0.0261(7) Uani 1 1 d . . . . .
C25 C 0.7871(4) 0.6858(4) 0.66367(16) 0.0266(8) Uani 1 1 d . . . . .
H25 H 0.7136 0.7271 0.6473 0.032 Uiso 1 1 calc R U . . .
Zn1 Zn 0.55323(5) 0.59349(5) 0.73315(2) 0.02778(10) Uani 1 1 d . . . . .
Cl1 Cl 0.52782(16) 0.44385(13) 0.79804(5) 0.0511(3) Uani 1 1 d . . . . .
Cl2 Cl 0.40109(12) 0.58130(12) 0.66145(5) 0.0428(3) Uani 1 1 d . . . . .
N2 N 0.5842(4) 0.8008(3) 0.76913(13) 0.0269(7) Uani 1 1 d . . . . .
C26 C 0.5363(5) 0.9068(5) 0.74577(16) 0.0333(9) Uani 1 1 d . . . . .
H26 H 0.4815 0.8865 0.7116 0.040 Uiso 1 1 calc R U . . .
C27 C 0.5639(5) 1.0450(4) 0.76970(17) 0.0332(9) Uani 1 1 d . . . . .
H27 H 0.5266 1.1175 0.7525 0.040 Uiso 1 1 calc R U . . .
C28 C 0.6463(4) 1.0767(4) 0.81882(16) 0.0285(8) Uani 1 1 d . . . . .
H28 H 0.6671 1.1712 0.8355 0.034 Uiso 1 1 calc R U . . .
C29 C 0.6983(4) 0.9678(4) 0.84359(15) 0.0246(8) Uani 1 1 d . . . . .
C30 C 0.6627(4) 0.8306(4) 0.81683(15) 0.0269(8) Uani 1 1 d . . . . .
H30 H 0.6960 0.7552 0.8335 0.032 Uiso 1 1 calc R U . . .
C31 C 0.7857(4) 0.9881(4) 0.89402(15) 0.0256(8) Uani 1 1 d . . . . .
C32 C 0.8621(4) 0.9936(4) 0.93458(15) 0.0241(8) Uani 1 1 d . . . . .
Pt2 Pt 1.0000 1.0000 1.0000 0.01930(5) Uani 1 2 d S . P . .
P2 P 1.16231(10) 1.12471(9) 0.94734(4) 0.01891(18) Uani 1 1 d . . . . .
C33 C 1.1955(4) 1.0053(3) 0.88763(14) 0.0213(7) Uani 1 1 d . . . . .
C34 C 1.2826(4) 0.9043(4) 0.89535(16) 0.0272(8) Uani 1 1 d . . . . .
H34 H 1.3288 0.9024 0.9307 0.033 Uiso 1 1 calc R U . . .
C35 C 1.3018(5) 0.8065(4) 0.85138(17) 0.0326(9) Uani 1 1 d . . . . .
H35 H 1.3625 0.7385 0.8565 0.039 Uiso 1 1 calc R U . . .
C36 C 1.2334(5) 0.8074(4) 0.80012(17) 0.0341(10) Uani 1 1 d . . . . .
H36 H 1.2481 0.7410 0.7700 0.041 Uiso 1 1 calc R U . . .
C37 C 1.1447(5) 0.9037(4) 0.79285(17) 0.0344(10) Uani 1 1 d . . . . .
H37 H 1.0967 0.9030 0.7577 0.041 Uiso 1 1 calc R U . . .
C38 C 1.1237(4) 1.0036(4) 0.83668(15) 0.0286(8) Uani 1 1 d . . . . .
H38 H 1.0607 1.0695 0.8315 0.034 Uiso 1 1 calc R U . . .
C39 C 1.3355(4) 1.2024(4) 0.97799(14) 0.0216(7) Uani 1 1 d . . . . .
C40 C 1.3421(4) 1.2844(4) 1.02948(15) 0.0265(8) Uani 1 1 d . . . . .
H40 H 1.2583 1.2892 1.0494 0.032 Uiso 1 1 calc R U . . .
C41 C 1.4707(5) 1.3588(4) 1.05155(16) 0.0317(9) Uani 1 1 d . . . . .
H41 H 1.4744 1.4146 1.0864 0.038 Uiso 1 1 calc R U . . .
C42 C 1.5930(5) 1.3517(5) 1.02291(18) 0.0386(10) Uani 1 1 d . . . . .
H42 H 1.6806 1.4029 1.0380 0.046 Uiso 1 1 calc R U . . .
C43 C 1.5880(5) 1.2708(5) 0.97274(19) 0.0398(10) Uani 1 1 d . . . . .
H43 H 1.6729 1.2647 0.9536 0.048 Uiso 1 1 calc R U . . .
C44 C 1.4605(4) 1.1978(4) 0.94962(17) 0.0326(9) Uani 1 1 d . . . . .
H44 H 1.4581 1.1444 0.9143 0.039 Uiso 1 1 calc R U . . .
C45 C 1.1042(4) 1.2770(4) 0.91909(15) 0.0223(7) Uani 1 1 d . . . . .
C46 C 1.1825(5) 1.3462(4) 0.87941(15) 0.0284(8) Uani 1 1 d . . . . .
H46 H 1.2646 1.3117 0.8660 0.034 Uiso 1 1 calc R U . . .
C47 C 1.1424(5) 1.4641(4) 0.85943(18) 0.0391(11) Uani 1 1 d . . . . .
H47 H 1.1949 1.5084 0.8312 0.047 Uiso 1 1 calc R U . . .
C48 C 1.0265(6) 1.5190(5) 0.8799(2) 0.0458(12) Uani 1 1 d . . . . .
H48 H 1.0004 1.6019 0.8666 0.055 Uiso 1 1 calc R U . . .
C49 C 0.9493(6) 1.4521(5) 0.9199(2) 0.0500(13) Uani 1 1 d . . . . .
H49 H 0.8692 1.4892 0.9340 0.060 Uiso 1 1 calc R U . . .
C50 C 0.9868(5) 1.3313(4) 0.93982(19) 0.0353(10) Uani 1 1 d . . . . .
H50 H 0.9328 1.2860 0.9674 0.042 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 C19 1.995(4) 2_776 ?
Pt1 C19 1.995(4) . ?
Pt1 P1 2.3127(9) 2_776 ?
Pt1 P1 2.3127(9) . ?
P1 C13 1.814(4) . ?
P1 C7 1.820(4) . ?
P1 C1 1.831(3) . ?
C1 C6 1.379(5) . ?
C1 C2 1.381(5) . ?
C2 C3 1.390(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.362(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.395(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.389(5) . ?
C7 C8 1.400(5) . ?
C8 C9 1.373(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.379(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.377(5) . ?
C13 C18 1.392(5) . ?
C14 C15 1.402(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.365(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.197(5) . ?
C20 C21 1.429(5) . ?
C21 C22 1.392(5) . ?
C21 C25 1.395(5) . ?
C22 C23 1.378(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(6) . ?
C23 H23 0.9500 . ?
C24 N1 1.342(5) . ?
C24 H24 0.9500 . ?
N1 C25 1.335(5) . ?
N1 Zn1 2.058(3) . ?
C25 H25 0.9500 . ?
Zn1 N2 2.076(3) . ?
Zn1 Cl2 2.2062(12) . ?
Zn1 Cl1 2.2139(12) . ?
N2 C30 1.337(5) . ?
N2 C26 1.340(5) . ?
C26 C27 1.384(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.385(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.397(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.405(5) . ?
C29 C31 1.434(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.194(5) . ?
C32 Pt2 2.013(4) . ?
Pt2 C32 2.013(4) 2_777 ?
Pt2 P2 2.3003(9) 2_777 ?
Pt2 P2 2.3003(10) . ?
P2 C39 1.817(4) . ?
P2 C45 1.822(4) . ?
P2 C33 1.822(3) . ?
C33 C38 1.385(5) . ?
C33 C34 1.391(5) . ?
C34 C35 1.385(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.380(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.365(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.400(5) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C44 1.397(5) . ?
C39 C40 1.401(5) . ?
C40 C41 1.391(6) . ?
C40 H40 0.9500 . ?
C41 C42 1.380(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.371(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.386(6) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.388(5) . ?
C45 C50 1.393(5) . ?
C46 C47 1.372(6) . ?
C46 H46 0.9500 . ?
C47 C48 1.380(7) . ?
C47 H47 0.9500 . ?
C48 C49 1.377(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.388(6) . ?
C49 H49 0.9500 . ?
C50 H50 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
C19 Pt1 C19 180.0 2_776 . ?
C19 Pt1 P1 91.70(10) 2_776 2_776 ?
C19 Pt1 P1 88.29(10) . 2_776 ?
C19 Pt1 P1 88.30(10) 2_776 . ?
C19 Pt1 P1 91.71(10) . . ?
P1 Pt1 P1 180.0 2_776 . ?
C13 P1 C7 104.48(16) . . ?
C13 P1 C1 105.86(15) . . ?
C7 P1 C1 104.30(16) . . ?
C13 P1 Pt1 114.84(11) . . ?
C7 P1 Pt1 113.00(11) . . ?
C1 P1 Pt1 113.36(12) . . ?
C6 C1 C2 119.2(3) . . ?
C6 C1 P1 121.6(3) . . ?
C2 C1 P1 119.1(3) . . ?
C1 C2 C3 120.4(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 120.2(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.0(4) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 119.6(4) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C1 C6 C5 120.6(4) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C12 C7 C8 119.2(4) . . ?
C12 C7 P1 119.6(3) . . ?
C8 C7 P1 121.0(3) . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.4(4) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 119.8(4) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.4(4) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
C14 C13 C18 119.7(3) . . ?
C14 C13 P1 120.6(3) . . ?
C18 C13 P1 119.5(3) . . ?
C13 C14 C15 119.7(4) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 120.4(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.0(4) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 120.3(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 119.9(3) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C20 C19 Pt1 178.8(3) . . ?
C19 C20 C21 176.7(4) . . ?
C22 C21 C25 116.9(3) . . ?
C22 C21 C20 123.2(4) . . ?
C25 C21 C20 119.8(3) . . ?
C23 C22 C21 119.6(4) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C23 C22 119.6(4) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
N1 C24 C23 122.1(4) . . ?
N1 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C25 N1 C24 118.3(4) . . ?
C25 N1 Zn1 116.6(3) . . ?
C24 N1 Zn1 124.7(3) . . ?
N1 C25 C21 123.5(4) . . ?
N1 C25 H25 118.2 . . ?
C21 C25 H25 118.2 . . ?
N1 Zn1 N2 95.11(13) . . ?
N1 Zn1 Cl2 108.80(10) . . ?
N2 Zn1 Cl2 107.09(10) . . ?
N1 Zn1 Cl1 108.68(10) . . ?
N2 Zn1 Cl1 110.86(9) . . ?
Cl2 Zn1 Cl1 122.77(5) . . ?
C30 N2 C26 118.5(3) . . ?
C30 N2 Zn1 117.7(3) . . ?
C26 N2 Zn1 123.7(3) . . ?
N2 C26 C27 122.3(4) . . ?
N2 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C26 C27 C28 119.5(4) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C27 C28 C29 119.1(4) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C28 C29 C30 117.3(3) . . ?
C28 C29 C31 124.1(3) . . ?
C30 C29 C31 118.6(3) . . ?
N2 C30 C29 123.3(3) . . ?
N2 C30 H30 118.4 . . ?
C29 C30 H30 118.4 . . ?
C32 C31 C29 174.1(4) . . ?
C31 C32 Pt2 176.6(3) . . ?
C32 Pt2 C32 180.0(2) . 2_777 ?
C32 Pt2 P2 93.91(11) . 2_777 ?
C32 Pt2 P2 86.09(11) 2_777 2_777 ?
C32 Pt2 P2 86.09(11) . . ?
C32 Pt2 P2 93.91(11) 2_777 . ?
P2 Pt2 P2 180.00(3) 2_777 . ?
C39 P2 C45 100.93(17) . . ?
C39 P2 C33 105.95(17) . . ?
C45 P2 C33 106.51(16) . . ?
C39 P2 Pt2 120.09(12) . . ?
C45 P2 Pt2 115.09(13) . . ?
C33 P2 Pt2 107.25(12) . . ?
C38 C33 C34 119.7(3) . . ?
C38 C33 P2 121.0(3) . . ?
C34 C33 P2 119.0(3) . . ?
C35 C34 C33 119.9(4) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 120.4(4) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C37 C36 C35 119.9(4) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C36 C37 C38 120.7(4) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C33 C38 C37 119.3(4) . . ?
C33 C38 H38 120.3 . . ?
C37 C38 H38 120.3 . . ?
C44 C39 C40 118.5(4) . . ?
C44 C39 P2 122.8(3) . . ?
C40 C39 P2 118.4(3) . . ?
C41 C40 C39 120.4(4) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C42 C41 C40 120.1(4) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.1(4) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 120.7(4) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C39 120.3(4) . . ?
C43 C44 H44 119.8 . . ?
C39 C44 H44 119.8 . . ?
C46 C45 C50 119.1(4) . . ?
C46 C45 P2 120.2(3) . . ?
C50 C45 P2 120.5(3) . . ?
C47 C46 C45 120.6(4) . . ?
C47 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C46 C47 C48 120.6(4) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C49 C48 C47 119.2(4) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C48 C49 C50 121.0(4) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 H49 119.5 . . ?
C49 C50 C45 119.5(4) . . ?
C49 C50 H50 120.3 . . ?
C45 C50 H50 120.3 . . ?

_refine_diff_density_max         2.072
_refine_diff_density_min         -1.188
_refine_diff_density_rms         0.126

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_e3195a_a
_database_code_depnum_ccdc_archive 'CCDC 1508102'
_audit_update_record             
;
2017-02-22 deposited with the CCDC.
2017-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H38 Br2 Co N2 P2 Pt'
_chemical_formula_sum            'C50 H38 Br2 Co N2 P2 Pt'
_chemical_formula_weight         1142.60

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      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                   9.5894(3)
_cell_length_b                   9.6957(4)
_cell_length_c                   24.1720(9)
_cell_angle_alpha                95.1270(10)
_cell_angle_beta                 91.4850(10)
_cell_angle_gamma                98.3100(11)
_cell_volume                     2213.20(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    33900
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      27.54

_exptl_crystal_description       prism
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_F_000             1114
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    5.446
_shelx_estimated_absorpt_T_min   0.736
_shelx_estimated_absorpt_T_max   0.772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.736
_exptl_absorpt_correction_T_max  0.772
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33971
_diffrn_reflns_av_unetI/netI     0.0412
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.132
_diffrn_reflns_theta_max         30.143
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measured_fraction_theta_full 0.958
_diffrn_reflns_Laue_measured_fraction_max 0.911
_diffrn_reflns_Laue_measured_fraction_full 0.958
_diffrn_reflns_point_group_measured_fraction_max 0.911
_diffrn_reflns_point_group_measured_fraction_full 0.958
_reflns_number_total             11919
_reflns_number_gt                10078
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0351P)²+3.6329P] 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         11919
_refine_ls_number_parameters     526
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0326
_refine_ls_wR_factor_ref         0.0811
_refine_ls_wR_factor_gt          0.0769
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.0000 1.0000 0.5000 0.01677(5) Uani 1 2 d S . P . .
P1 P 0.84458(9) 0.84483(8) 0.44156(3) 0.01697(16) Uani 1 1 d . . . . .
C1 C 0.9090(4) 0.8158(3) 0.37151(12) 0.0202(6) Uani 1 1 d . . . . .
C2 C 1.0531(4) 0.8320(4) 0.36411(14) 0.0272(7) Uani 1 1 d . . . . .
H2 H 1.1169 0.8536 0.3954 0.033 Uiso 1 1 calc R U . . .
C3 C 1.1048(4) 0.8168(5) 0.31098(16) 0.0339(9) Uani 1 1 d . . . . .
H3 H 1.2037 0.8285 0.3062 0.041 Uiso 1 1 calc R U . . .
C4 C 1.0139(5) 0.7852(4) 0.26552(15) 0.0336(9) Uani 1 1 d . . . . .
H4 H 1.0499 0.7762 0.2293 0.040 Uiso 1 1 calc R U . . .
C5 C 0.8691(5) 0.7662(5) 0.27223(15) 0.0364(9) Uani 1 1 d . . . . .
H5 H 0.8059 0.7431 0.2407 0.044 Uiso 1 1 calc R U . . .
C6 C 0.8170(4) 0.7811(4) 0.32536(14) 0.0288(8) Uani 1 1 d . . . . .
H6 H 0.7180 0.7676 0.3301 0.035 Uiso 1 1 calc R U . . .
C7 C 0.6755(4) 0.9053(3) 0.43073(13) 0.0209(6) Uani 1 1 d . . . . .
C8 C 0.5547(4) 0.8108(4) 0.41322(15) 0.0259(7) Uani 1 1 d . . . . .
H8 H 0.5587 0.7131 0.4091 0.031 Uiso 1 1 calc R U . . .
C9 C 0.4301(4) 0.8595(4) 0.40204(16) 0.0309(8) Uani 1 1 d . . . . .
H9 H 0.3484 0.7952 0.3900 0.037 Uiso 1 1 calc R U . . .
C10 C 0.4229(4) 1.0026(4) 0.40829(17) 0.0341(9) Uani 1 1 d . . . . .
H10 H 0.3366 1.0358 0.4007 0.041 Uiso 1 1 calc R U . . .
C11 C 0.5425(4) 1.0959(4) 0.42563(18) 0.0350(9) Uani 1 1 d . . . . .
H11 H 0.5382 1.1935 0.4298 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6682(4) 1.0481(4) 0.43693(15) 0.0277(7) Uani 1 1 d . . . . .
H12 H 0.7497 1.1128 0.4489 0.033 Uiso 1 1 calc R U . . .
C13 C 0.7997(3) 0.6722(3) 0.46549(12) 0.0182(6) Uani 1 1 d . . . . .
C14 C 0.8682(4) 0.5618(4) 0.44614(14) 0.0266(7) Uani 1 1 d . . . . .
H14 H 0.9338 0.5734 0.4175 0.032 Uiso 1 1 calc R U . . .
C15 C 0.8403(5) 0.4338(4) 0.46880(16) 0.0343(9) Uani 1 1 d . . . . .
H15 H 0.8887 0.3589 0.4561 0.041 Uiso 1 1 calc R U . . .
C16 C 0.7435(4) 0.4154(4) 0.50931(15) 0.0314(8) Uani 1 1 d . . . . .
H16 H 0.7238 0.3272 0.5239 0.038 Uiso 1 1 calc R U . . .
C17 C 0.6745(4) 0.5246(4) 0.52892(16) 0.0316(8) Uani 1 1 d . . . . .
H17 H 0.6079 0.5117 0.5571 0.038 Uiso 1 1 calc R U . . .
C18 C 0.7029(4) 0.6527(4) 0.50742(15) 0.0266(7) Uani 1 1 d . . . . .
H18 H 0.6563 0.7280 0.5212 0.032 Uiso 1 1 calc R U . . .
C19 C 0.9675(3) 0.8799(3) 0.56324(14) 0.0209(6) Uani 1 1 d . . . . .
C20 C 0.9524(4) 0.8119(4) 0.60015(14) 0.0246(7) Uani 1 1 d . . . . .
C21 C 0.9283(4) 0.7187(4) 0.64440(14) 0.0234(7) Uani 1 1 d . . . . .
C22 C 1.0331(4) 0.6544(4) 0.66751(15) 0.0274(7) Uani 1 1 d . . . . .
H22 H 1.1269 0.6724 0.6554 0.033 Uiso 1 1 calc R U . . .
C23 C 1.0020(4) 0.5650(4) 0.70779(16) 0.0315(8) Uani 1 1 d . . . . .
H23 H 1.0733 0.5193 0.7230 0.038 Uiso 1 1 calc R U . . .
C24 C 0.8660(4) 0.5420(4) 0.72604(15) 0.0305(8) Uani 1 1 d . . . . .
H24 H 0.8448 0.4809 0.7543 0.037 Uiso 1 1 calc R U . . .
N1 N 0.7635(3) 0.6040(3) 0.70480(12) 0.0258(6) Uani 1 1 d . . . . .
C25 C 0.7935(4) 0.6890(4) 0.66466(14) 0.0256(7) Uani 1 1 d . . . . .
H25 H 0.7196 0.7309 0.6493 0.031 Uiso 1 1 calc R U . . .
Co1 Co 0.56670(5) 0.59661(5) 0.73489(2) 0.02532(10) Uani 1 1 d . . . . .
Br1 Br 0.53602(6) 0.43241(5) 0.80220(2) 0.04783(12) Uani 1 1 d . . . . .
Br2 Br 0.40244(5) 0.57343(5) 0.65952(2) 0.03966(10) Uani 1 1 d . . . . .
N2 N 0.5886(3) 0.7984(3) 0.77089(12) 0.0261(6) Uani 1 1 d . . . . .
C26 C 0.5393(4) 0.9031(4) 0.74706(14) 0.0294(8) Uani 1 1 d . . . . .
H26 H 0.4842 0.8823 0.7133 0.035 Uiso 1 1 calc R U . . .
C27 C 0.5672(4) 1.0401(4) 0.77056(15) 0.0322(8) Uani 1 1 d . . . . .
H27 H 0.5308 1.1122 0.7532 0.039 Uiso 1 1 calc R U . . .
C28 C 0.6480(4) 1.0719(4) 0.81930(15) 0.0288(8) Uani 1 1 d . . . . .
H28 H 0.6678 1.1658 0.8356 0.035 Uiso 1 1 calc R U . . .
C29 C 0.7008(4) 0.9643(4) 0.84475(13) 0.0240(7) Uani 1 1 d . . . . .
C30 C 0.6662(4) 0.8289(4) 0.81813(14) 0.0249(7) Uani 1 1 d . . . . .
H30 H 0.7000 0.7542 0.8347 0.030 Uiso 1 1 calc R U . . .
C31 C 0.7878(4) 0.9852(4) 0.89519(15) 0.0262(7) Uani 1 1 d . . . . .
C32 C 0.8631(4) 0.9912(4) 0.93520(14) 0.0240(7) Uani 1 1 d . . . . .
Pt2 Pt 1.0000 1.0000 1.0000 0.01908(5) Uani 1 2 d S . P . .
P2 P 1.16065(9) 1.12323(9) 0.94692(3) 0.01907(17) Uani 1 1 d . . . . .
C33 C 1.1944(4) 1.0050(3) 0.88778(13) 0.0215(7) Uani 1 1 d . . . . .
C34 C 1.2803(4) 0.9027(4) 0.89577(15) 0.0279(8) Uani 1 1 d . . . . .
H34 H 1.3245 0.8996 0.9312 0.033 Uiso 1 1 calc R U . . .
C35 C 1.3005(5) 0.8063(4) 0.85226(17) 0.0334(8) Uani 1 1 d . . . . .
H35 H 1.3608 0.7386 0.8577 0.040 Uiso 1 1 calc R U . . .
C36 C 1.2339(5) 0.8074(4) 0.80076(16) 0.0348(9) Uani 1 1 d . . . . .
H36 H 1.2485 0.7408 0.7710 0.042 Uiso 1 1 calc R U . . .
C37 C 1.1465(5) 0.9054(4) 0.79297(16) 0.0359(9) Uani 1 1 d . . . . .
H37 H 1.1000 0.9059 0.7578 0.043 Uiso 1 1 calc R U . . .
C38 C 1.1260(4) 1.0042(4) 0.83657(14) 0.0284(8) Uani 1 1 d . . . . .
H38 H 1.0648 1.0710 0.8311 0.034 Uiso 1 1 calc R U . . .
C39 C 1.3337(4) 1.2013(4) 0.97690(13) 0.0220(7) Uani 1 1 d . . . . .
C40 C 1.3396(4) 1.2820(4) 1.02783(14) 0.0288(8) Uani 1 1 d . . . . .
H40 H 1.2562 1.2870 1.0478 0.035 Uiso 1 1 calc R U . . .
C41 C 1.4680(5) 1.3555(4) 1.04936(16) 0.0340(9) Uani 1 1 d . . . . .
H41 H 1.4717 1.4117 1.0838 0.041 Uiso 1 1 calc R U . . .
C42 C 1.5897(5) 1.3468(5) 1.02090(18) 0.0394(10) Uani 1 1 d . . . . .
H42 H 1.6770 1.3967 1.0359 0.047 Uiso 1 1 calc R U . . .
C43 C 1.5855(5) 1.2667(5) 0.97100(19) 0.0425(10) Uani 1 1 d . . . . .
H43 H 1.6697 1.2608 0.9517 0.051 Uiso 1 1 calc R U . . .
C44 C 1.4578(4) 1.1941(5) 0.94861(16) 0.0353(9) Uani 1 1 d . . . . .
H44 H 1.4551 1.1394 0.9139 0.042 Uiso 1 1 calc R U . . .
C45 C 1.1015(4) 1.2747(3) 0.91899(13) 0.0233(7) Uani 1 1 d . . . . .
C46 C 1.1805(5) 1.3444(4) 0.87939(15) 0.0307(8) Uani 1 1 d . . . . .
H46 H 1.2626 1.3105 0.8660 0.037 Uiso 1 1 calc R U . . .
C47 C 1.1399(5) 1.4623(4) 0.85963(17) 0.0395(10) Uani 1 1 d . . . . .
H47 H 1.1920 1.5073 0.8317 0.047 Uiso 1 1 calc R U . . .
C48 C 1.0240(6) 1.5148(5) 0.8803(2) 0.0496(12) Uani 1 1 d . . . . .
H48 H 0.9971 1.5970 0.8671 0.059 Uiso 1 1 calc R U . . .
C49 C 0.9466(6) 1.4484(5) 0.9201(2) 0.0513(12) Uani 1 1 d . . . . .
H49 H 0.8666 1.4850 0.9343 0.062 Uiso 1 1 calc R U . . .
C50 C 0.9851(4) 1.3276(4) 0.93973(18) 0.0356(9) Uani 1 1 d . . . . .
H50 H 0.9316 1.2821 0.9672 0.043 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 C19 2.007(3) 2_776 ?
Pt1 C19 2.007(3) . ?
Pt1 P1 2.3116(8) 2_776 ?
Pt1 P1 2.3116(8) . ?
P1 C13 1.816(3) . ?
P1 C7 1.822(4) . ?
P1 C1 1.830(3) . ?
C1 C2 1.386(5) . ?
C1 C6 1.390(5) . ?
C2 C3 1.392(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.369(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.391(5) . ?
C7 C8 1.400(5) . ?
C8 C9 1.376(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(6) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.387(5) . ?
C13 C18 1.399(5) . ?
C14 C15 1.394(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.372(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.156(5) . ?
C20 C21 1.462(5) . ?
C21 C22 1.388(5) . ?
C21 C25 1.395(5) . ?
C22 C23 1.371(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(6) . ?
C23 H23 0.9500 . ?
C24 N1 1.338(5) . ?
C24 H24 0.9500 . ?
N1 C25 1.339(4) . ?
N1 Co1 2.034(3) . ?
C25 H25 0.9500 . ?
Co1 N2 2.048(3) . ?
Co1 Br2 2.3509(6) . ?
Co1 Br1 2.3708(6) . ?
N2 C30 1.333(4) . ?
N2 C26 1.347(5) . ?
C26 C27 1.383(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.379(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.405(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.400(5) . ?
C29 C31 1.442(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.184(5) . ?
C32 Pt2 2.005(4) . ?
Pt2 C32 2.005(4) 2_777 ?
Pt2 P2 2.3003(8) 2_777 ?
Pt2 P2 2.3004(8) . ?
P2 C33 1.817(3) . ?
P2 C39 1.824(4) . ?
P2 C45 1.825(3) . ?
C33 C38 1.385(5) . ?
C33 C34 1.400(5) . ?
C34 C35 1.380(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.386(6) . ?
C35 H35 0.9500 . ?
C36 C37 1.377(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.397(5) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.394(5) . ?
C39 C44 1.395(5) . ?
C40 C41 1.394(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.379(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.371(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.391(6) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C50 1.382(6) . ?
C45 C46 1.397(5) . ?
C46 C47 1.380(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.375(7) . ?
C47 H47 0.9500 . ?
C48 C49 1.379(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.395(6) . ?
C49 H49 0.9500 . ?
C50 H50 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
C19 Pt1 C19 180.0 2_776 . ?
C19 Pt1 P1 91.92(9) 2_776 2_776 ?
C19 Pt1 P1 88.08(9) . 2_776 ?
C19 Pt1 P1 88.08(9) 2_776 . ?
C19 Pt1 P1 91.92(9) . . ?
P1 Pt1 P1 180.0 2_776 . ?
C13 P1 C7 104.69(15) . . ?
C13 P1 C1 105.87(15) . . ?
C7 P1 C1 104.36(15) . . ?
C13 P1 Pt1 114.80(10) . . ?
C7 P1 Pt1 113.02(11) . . ?
C1 P1 Pt1 113.14(11) . . ?
C2 C1 C6 119.2(3) . . ?
C2 C1 P1 119.2(2) . . ?
C6 C1 P1 121.6(3) . . ?
C1 C2 C3 120.3(3) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.1(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.3(4) . . ?
C1 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C12 C7 C8 119.5(3) . . ?
C12 C7 P1 119.5(3) . . ?
C8 C7 P1 120.9(3) . . ?
C9 C8 C7 119.9(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.5(4) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 119.5(4) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C7 120.1(4) . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C14 C13 C18 119.2(3) . . ?
C14 C13 P1 121.1(3) . . ?
C18 C13 P1 119.5(3) . . ?
C13 C14 C15 119.8(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 120.5(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 119.8(4) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 120.5(3) . . ?
C17 C18 H18 119.8 . . ?
C13 C18 H18 119.8 . . ?
C20 C19 Pt1 178.2(3) . . ?
C19 C20 C21 176.4(4) . . ?
C22 C21 C25 116.8(3) . . ?
C22 C21 C20 123.5(3) . . ?
C25 C21 C20 119.7(3) . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.4(4) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
N1 C24 C23 121.4(3) . . ?
N1 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 N1 C25 119.1(3) . . ?
C24 N1 Co1 124.5(2) . . ?
C25 N1 Co1 116.0(2) . . ?
N1 C25 C21 123.0(3) . . ?
N1 C25 H25 118.5 . . ?
C21 C25 H25 118.5 . . ?
N1 Co1 N2 97.56(13) . . ?
N1 Co1 Br2 108.65(9) . . ?
N2 Co1 Br2 108.43(9) . . ?
N1 Co1 Br1 109.56(9) . . ?
N2 Co1 Br1 111.65(8) . . ?
Br2 Co1 Br1 118.84(3) . . ?
C30 N2 C26 118.7(3) . . ?
C30 N2 Co1 117.6(2) . . ?
C26 N2 Co1 123.5(2) . . ?
N2 C26 C27 121.5(3) . . ?
N2 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C28 C27 C26 119.9(3) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 119.5(3) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C30 C29 C28 116.5(3) . . ?
C30 C29 C31 119.1(3) . . ?
C28 C29 C31 124.4(3) . . ?
N2 C30 C29 123.9(3) . . ?
N2 C30 H30 118.0 . . ?
C29 C30 H30 118.0 . . ?
C32 C31 C29 174.1(4) . . ?
C31 C32 Pt2 176.7(3) . . ?
C32 Pt2 C32 180.0 . 2_777 ?
C32 Pt2 P2 93.83(10) . 2_777 ?
C32 Pt2 P2 86.17(10) 2_777 2_777 ?
C32 Pt2 P2 86.17(10) . . ?
C32 Pt2 P2 93.83(10) 2_777 . ?
P2 Pt2 P2 180.00(3) 2_777 . ?
C33 P2 C39 105.77(17) . . ?
C33 P2 C45 106.87(15) . . ?
C39 P2 C45 100.71(16) . . ?
C33 P2 Pt2 107.42(11) . . ?
C39 P2 Pt2 120.20(11) . . ?
C45 P2 Pt2 114.89(12) . . ?
C38 C33 C34 119.2(3) . . ?
C38 C33 P2 121.5(3) . . ?
C34 C33 P2 119.0(2) . . ?
C35 C34 C33 120.0(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.6(4) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C37 C36 C35 119.7(4) . . ?
C37 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?
C36 C37 C38 120.2(4) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C33 C38 C37 120.2(4) . . ?
C33 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C40 C39 C44 119.1(3) . . ?
C40 C39 P2 118.1(3) . . ?
C44 C39 P2 122.6(3) . . ?
C41 C40 C39 119.9(4) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C40 120.3(4) . . ?
C42 C41 H41 119.9 . . ?
C40 C41 H41 119.9 . . ?
C43 C42 C41 120.4(4) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C42 C43 C44 120.1(4) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C39 120.4(4) . . ?
C43 C44 H44 119.8 . . ?
C39 C44 H44 119.8 . . ?
C50 C45 C46 119.5(3) . . ?
C50 C45 P2 120.5(3) . . ?
C46 C45 P2 119.9(3) . . ?
C47 C46 C45 120.3(4) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C48 C47 C46 120.1(4) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C47 C48 C49 120.1(4) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 H48 120.0 . . ?
C48 C49 C50 120.4(5) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C45 C50 C49 119.6(4) . . ?
C45 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?

_refine_diff_density_max         2.188
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.129

_shelxl_version_number           2014-3

