# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_e2693a
_database_code_depnum_ccdc_archive 'CCDC 1403450'
_audit_update_record             
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C50 H38 N2 P2 Pt'
_chemical_formula_sum            'C50 H38 N2 P2 Pt'
_chemical_formula_weight         923.85

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.8982(5)
_cell_length_b                   10.2683(5)
_cell_length_c                   10.6425(5)
_cell_angle_alpha                83.162(2)
_cell_angle_beta                 67.534(2)
_cell_angle_gamma                81.896(2)
_cell_volume                     987.09(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5193
_cell_measurement_theta_min      2.78
_cell_measurement_theta_max      28.30

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             460
_exptl_absorpt_coefficient_mu    3.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7576
_exptl_absorpt_correction_T_max  0.8377
_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            10992
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.01
_diffrn_reflns_theta_max         29.16
_reflns_number_total             5285
_reflns_number_gt                5192
_reflns_threshold_expression     >2sigma(I)

_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          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0438P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5285
_refine_ls_number_parameters     250
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0782
_refine_ls_wR_factor_gt          0.0772
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.0000 0.5000 0.5000 0.01973(7) Uani 1 2 d S . .
C1 C 0.0636(3) 0.6540(4) 0.5536(3) 0.0249(7) Uani 1 1 d . . .
C2 C 0.0991(4) 0.7485(4) 0.5855(4) 0.0288(8) Uani 1 1 d . . .
C3 C 0.1437(4) 0.8621(4) 0.6182(4) 0.0274(7) Uani 1 1 d . . .
C4 C 0.0516(4) 0.9779(4) 0.6497(4) 0.0377(9) Uani 1 1 d . . .
H4 H -0.0450 0.9837 0.6498 0.045 Uiso 1 1 calc R . .
C5 C 0.0996(5) 1.0853(5) 0.6811(5) 0.0477(11) Uani 1 1 d . . .
H5 H 0.0333 1.1630 0.7034 0.057 Uiso 1 1 calc R . .
N1 N 0.2341(5) 1.0855(4) 0.6819(4) 0.0499(10) Uani 1 1 d . . .
C6 C 0.3222(5) 0.9750(5) 0.6503(5) 0.0431(10) Uani 1 1 d . . .
H6 H 0.4186 0.9731 0.6498 0.052 Uiso 1 1 calc R . .
C7 C 0.2854(4) 0.8624(4) 0.6179(4) 0.0341(9) Uani 1 1 d . . .
H7 H 0.3546 0.7864 0.5959 0.041 Uiso 1 1 calc R . .
P1 P 0.20788(9) 0.49099(8) 0.30207(9) 0.02072(17) Uani 1 1 d . . .
C8 C 0.1676(4) 0.5919(4) 0.1653(3) 0.0285(8) Uani 1 1 d . . .
C9 C 0.2685(5) 0.6710(6) 0.0689(5) 0.0553(14) Uani 1 1 d . . .
H9 H 0.3638 0.6712 0.0704 0.066 Uiso 1 1 calc R . .
C10 C 0.2277(7) 0.7484(7) -0.0284(5) 0.078(2) Uani 1 1 d . . .
H10 H 0.2953 0.8031 -0.0936 0.094 Uiso 1 1 calc R . .
C11 C 0.0903(7) 0.7479(7) -0.0324(5) 0.0675(18) Uani 1 1 d . . .
H11 H 0.0628 0.8028 -0.0989 0.081 Uiso 1 1 calc R . .
C12 C -0.0059(5) 0.6678(6) 0.0598(5) 0.0518(13) Uani 1 1 d . . .
H12 H -0.0993 0.6649 0.0551 0.062 Uiso 1 1 calc R . .
C13 C 0.0312(5) 0.5909(5) 0.1600(4) 0.0391(10) Uani 1 1 d . . .
H13 H -0.0377 0.5374 0.2252 0.047 Uiso 1 1 calc R . .
C14 C 0.2681(3) 0.3273(3) 0.2402(4) 0.0244(7) Uani 1 1 d . . .
C15 C 0.2755(4) 0.2219(4) 0.3332(4) 0.0302(8) Uani 1 1 d . . .
H15 H 0.2508 0.2368 0.4262 0.036 Uiso 1 1 calc R . .
C16 C 0.3191(4) 0.0949(4) 0.2901(5) 0.0359(9) Uani 1 1 d . . .
H16 H 0.3252 0.0233 0.3537 0.043 Uiso 1 1 calc R . .
C17 C 0.3535(4) 0.0721(4) 0.1558(5) 0.0449(11) Uani 1 1 d . . .
H17 H 0.3832 -0.0150 0.1269 0.054 Uiso 1 1 calc R . .
C18 C 0.3446(5) 0.1768(5) 0.0628(5) 0.0462(11) Uani 1 1 d . . .
H18 H 0.3661 0.1609 -0.0294 0.055 Uiso 1 1 calc R . .
C19 C 0.3043(4) 0.3046(4) 0.1042(4) 0.0331(8) Uani 1 1 d . . .
H19 H 0.3016 0.3764 0.0398 0.040 Uiso 1 1 calc R . .
C20 C 0.3743(3) 0.5468(3) 0.3031(4) 0.0247(7) Uani 1 1 d . . .
C21 C 0.3807(4) 0.6808(4) 0.3105(4) 0.0332(9) Uani 1 1 d . . .
H21 H 0.2994 0.7430 0.3123 0.040 Uiso 1 1 calc R . .
C22 C 0.5047(4) 0.7226(4) 0.3152(4) 0.0371(10) Uani 1 1 d . . .
H22 H 0.5086 0.8140 0.3184 0.044 Uiso 1 1 calc R . .
C23 C 0.6224(5) 0.6354(5) 0.3153(5) 0.0441(11) Uani 1 1 d . . .
H23 H 0.7058 0.6655 0.3217 0.053 Uiso 1 1 calc R . .
C24 C 0.6189(5) 0.5030(5) 0.3060(8) 0.0663(18) Uani 1 1 d . . .
H24 H 0.7008 0.4416 0.3045 0.080 Uiso 1 1 calc R . .
C25 C 0.4951(5) 0.4601(4) 0.2988(6) 0.0522(13) Uani 1 1 d . . .
H25 H 0.4939 0.3692 0.2908 0.063 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.998(4) 2_566 ?
Pt1 C1 1.998(4) . ?
Pt1 P1 2.3151(8) 2_566 ?
Pt1 P1 2.3151(8) . ?
C1 C2 1.203(5) . ?
C2 C3 1.426(5) . ?
C3 C4 1.383(6) . ?
C3 C7 1.402(5) . ?
C4 C5 1.381(6) . ?
C4 H4 0.9500 . ?
C5 N1 1.335(6) . ?
C5 H5 0.9500 . ?
N1 C6 1.323(6) . ?
C6 C7 1.378(6) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
P1 C14 1.816(4) . ?
P1 C8 1.822(4) . ?
P1 C20 1.823(3) . ?
C8 C13 1.374(6) . ?
C8 C9 1.399(5) . ?
C9 C10 1.378(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.377(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.363(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.382(7) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.390(5) . ?
C14 C19 1.392(5) . ?
C15 C16 1.389(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.389(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.376(6) . ?
C20 C21 1.399(5) . ?
C21 C22 1.377(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.365(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.391(6) . ?
C24 H24 0.9500 . ?
C25 H25 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
C1 Pt1 C1 180.000(1) 2_566 . ?
C1 Pt1 P1 90.78(9) 2_566 2_566 ?
C1 Pt1 P1 89.22(9) . 2_566 ?
C1 Pt1 P1 89.22(9) 2_566 . ?
C1 Pt1 P1 90.78(9) . . ?
P1 Pt1 P1 180.0 2_566 . ?
C2 C1 Pt1 178.5(3) . . ?
C1 C2 C3 177.9(4) . . ?
C4 C3 C7 116.3(4) . . ?
C4 C3 C2 122.4(4) . . ?
C7 C3 C2 121.3(4) . . ?
C5 C4 C3 120.3(4) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N1 C5 C4 123.5(4) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C6 N1 C5 116.0(4) . . ?
N1 C6 C7 125.2(4) . . ?
N1 C6 H6 117.4 . . ?
C7 C6 H6 117.4 . . ?
C6 C7 C3 118.7(4) . . ?
C6 C7 H7 120.7 . . ?
C3 C7 H7 120.7 . . ?
C14 P1 C8 105.09(18) . . ?
C14 P1 C20 103.82(16) . . ?
C8 P1 C20 105.47(17) . . ?
C14 P1 Pt1 113.92(11) . . ?
C8 P1 Pt1 109.21(11) . . ?
C20 P1 Pt1 118.24(12) . . ?
C13 C8 C9 119.7(4) . . ?
C13 C8 P1 117.8(3) . . ?
C9 C8 P1 122.5(3) . . ?
C10 C9 C8 119.0(5) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C11 C10 C9 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C12 C11 C10 119.5(5) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 120.7(5) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C8 C13 C12 120.0(4) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C19 119.7(3) . . ?
C15 C14 P1 118.3(3) . . ?
C19 C14 P1 122.0(3) . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.5(4) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.8(4) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C19 120.2(4) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C14 119.9(4) . . ?
C18 C19 H19 120.1 . . ?
C14 C19 H19 120.1 . . ?
C25 C20 C21 118.2(3) . . ?
C25 C20 P1 121.8(3) . . ?
C21 C20 P1 120.0(3) . . ?
C22 C21 C20 120.1(4) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 121.4(4) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C22 C23 C24 119.4(4) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C23 C24 C25 119.6(5) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C20 C25 C24 121.3(4) . . ?
C20 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        29.16
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.844
_refine_diff_density_min         -1.204
_refine_diff_density_rms         0.147
####################################################################### 
# 
# 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_e2738a
_database_code_depnum_ccdc_archive 'CCDC 1403451'
_audit_update_record             
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C100 H76 Cl2 N4 Ni P4 Pt2'
_chemical_formula_sum            'C100 H76 Cl2 N4 Ni P4 Pt2'
_chemical_formula_weight         1977.32

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ni Ni 0.3393 1.1124 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1 '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0555(4)
_cell_length_b                   17.1663(6)
_cell_length_c                   30.4851(10)
_cell_angle_alpha                90.794(2)
_cell_angle_beta                 93.971(2)
_cell_angle_gamma                99.038(2)
_cell_volume                     5698.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9994
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      24.22

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1964
_exptl_absorpt_coefficient_mu    2.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8098
_exptl_absorpt_correction_T_max  0.8746
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 The command squeeze was used because we didn't identify the solvents
;

_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            27043
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0918
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         1.78
_diffrn_reflns_theta_max         28.00
_reflns_number_total             27043
_reflns_number_gt                17104
_reflns_threshold_expression     >2sigma(I)

_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          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1655P)²+13.2170P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         27043
_refine_ls_number_parameters     967
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1317
_refine_ls_R_factor_gt           0.0713
_refine_ls_wR_factor_ref         0.2663
_refine_ls_wR_factor_gt          0.2419
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.111
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni4 Ni -0.18685(10) 0.28124(6) 0.75116(4) 0.0254(2) Uani 1 1 d . . .
Cl1 Cl -0.0233(4) 0.2390(3) 0.79384(15) 0.0922(12) Uani 1 1 d . . .
Cl2 Cl -0.3450(7) 0.3277(4) 0.7105(2) 0.136(2) Uani 1 1 d . . .
Pt1 Pt 0.0000 0.0000 0.5000 0.02677(14) Uani 1 2 d S . .
P1 P -0.1383(2) 0.05985(15) 0.45833(8) 0.0314(5) Uani 1 1 d . . .
C1 C -0.2447(10) 0.1088(7) 0.4880(3) 0.041(2) Uani 1 1 d . . .
C2 C -0.2480(13) 0.1889(9) 0.4875(4) 0.067(4) Uani 1 1 d . . .
H2 H -0.1890 0.2225 0.4723 0.080 Uiso 1 1 calc R . .
C3 C -0.3377(16) 0.2214(10) 0.5091(6) 0.083(5) Uani 1 1 d . . .
H3 H -0.3410 0.2763 0.5085 0.100 Uiso 1 1 calc R . .
C4 C -0.4208(12) 0.1704(9) 0.5313(4) 0.060(4) Uani 1 1 d . . .
H4 H -0.4814 0.1914 0.5463 0.071 Uiso 1 1 calc R . .
C5 C -0.4191(10) 0.0938(10) 0.5323(3) 0.058(4) Uani 1 1 d . . .
H5 H -0.4788 0.0606 0.5474 0.069 Uiso 1 1 calc R . .
C6 C -0.3289(10) 0.0617(8) 0.5113(3) 0.049(3) Uani 1 1 d . . .
H6 H -0.3259 0.0068 0.5130 0.059 Uiso 1 1 calc R . .
C7 C -0.0449(11) 0.1369(8) 0.4287(4) 0.054(3) Uani 1 1 d . . .
C8 C -0.0516(16) 0.1414(10) 0.3843(5) 0.084(5) Uani 1 1 d . . .
H8 H -0.1072 0.1058 0.3655 0.100 Uiso 1 1 calc R . .
C9 C 0.036(2) 0.2076(16) 0.3674(7) 0.120(8) Uani 1 1 d . . .
H9 H 0.0388 0.2148 0.3367 0.144 Uiso 1 1 calc R . .
C10 C 0.108(2) 0.2546(15) 0.3941(9) 0.118(8) Uani 1 1 d . . .
H10 H 0.1605 0.2967 0.3818 0.141 Uiso 1 1 calc R . .
C11 C 0.116(2) 0.2494(13) 0.4377(9) 0.137(10) Uani 1 1 d . . .
H11 H 0.1713 0.2867 0.4556 0.165 Uiso 1 1 calc R . .
C12 C 0.0403(16) 0.1881(10) 0.4566(6) 0.084(5) Uani 1 1 d . . .
H12 H 0.0462 0.1809 0.4874 0.101 Uiso 1 1 calc R . .
C13 C -0.2432(9) 0.0028(8) 0.4183(3) 0.043(3) Uani 1 1 d . . .
C14 C -0.3239(11) 0.0396(8) 0.3928(4) 0.051(3) Uani 1 1 d . . .
H14 H -0.3192 0.0951 0.3963 0.061 Uiso 1 1 calc R . .
C15 C -0.4135(13) -0.0009(13) 0.3616(5) 0.080(5) Uani 1 1 d . . .
H15 H -0.4666 0.0257 0.3436 0.096 Uiso 1 1 calc R . .
C16 C -0.4184(12) -0.0830(13) 0.3592(4) 0.083(6) Uani 1 1 d . . .
H16 H -0.4757 -0.1123 0.3381 0.099 Uiso 1 1 calc R . .
C17 C -0.3429(10) -0.1248(11) 0.3863(5) 0.077(5) Uani 1 1 d . . .
H17 H -0.3498 -0.1806 0.3845 0.093 Uiso 1 1 calc R . .
C18 C -0.2569(9) -0.0785(8) 0.4162(4) 0.052(3) Uani 1 1 d . . .
H18 H -0.2064 -0.1044 0.4357 0.062 Uiso 1 1 calc R . .
C19 C -0.0296(10) 0.0603(7) 0.5533(3) 0.038(2) Uani 1 1 d . . .
C20 C -0.0520(9) 0.0973(7) 0.5854(3) 0.037(2) Uani 1 1 d . . .
C21 C -0.0775(8) 0.1433(6) 0.6206(3) 0.029(2) Uani 1 1 d . . .
C22 C 0.0118(8) 0.1852(7) 0.6499(3) 0.041(3) Uani 1 1 d . . .
H22 H 0.0959 0.1834 0.6461 0.049 Uiso 1 1 calc R . .
C23 C -0.0191(8) 0.2301(5) 0.6848(3) 0.030(2) Uani 1 1 d . . .
H23 H 0.0450 0.2599 0.7032 0.036 Uiso 1 1 calc R . .
N1 N -0.1343(6) 0.2326(4) 0.6931(2) 0.0279(16) Uani 1 1 d . . .
C24 C -0.2229(8) 0.1922(6) 0.6640(3) 0.037(2) Uani 1 1 d . . .
H24 H -0.3064 0.1951 0.6683 0.045 Uiso 1 1 calc R . .
C25 C -0.1987(9) 0.1489(7) 0.6298(3) 0.044(3) Uani 1 1 d . . .
H25 H -0.2648 0.1213 0.6113 0.053 Uiso 1 1 calc R . .
Pt2 Pt -0.5000 0.5000 1.0000 0.04716(19) Uani 1 2 d S . .
P2 P -0.3639(3) 0.4577(2) 1.05150(10) 0.0598(9) Uani 1 1 d . . .
C26 C -0.2870(17) 0.3787(14) 1.0344(5) 0.103(6) Uani 1 1 d . . .
C27 C -0.1947(17) 0.3901(17) 1.0062(6) 0.103(6) Uani 1 1 d . . .
H27 H -0.1656 0.4421 0.9974 0.123 Uiso 1 1 calc R . .
C28 C -0.140(3) 0.326(3) 0.9894(8) 0.103(6) Uani 1 1 d . . .
H28 H -0.0817 0.3350 0.9680 0.123 Uiso 1 1 calc R . .
C29 C -0.173(3) 0.253(2) 1.0040(8) 0.103(6) Uani 1 1 d . . .
H29 H -0.1376 0.2093 0.9944 0.123 Uiso 1 1 calc R . .
C30 C -0.258(3) 0.2461(14) 1.0330(11) 0.103(6) Uani 1 1 d . . .
H30 H -0.2754 0.1947 1.0444 0.123 Uiso 1 1 calc R . .
C31 C -0.3253(19) 0.2989(11) 1.0496(7) 0.103(6) Uani 1 1 d . . .
H31 H -0.3893 0.2851 1.0686 0.123 Uiso 1 1 calc R . .
C32 C -0.4324(11) 0.4219(10) 1.1009(4) 0.064(4) Uani 1 1 d . . .
C33 C -0.3721(16) 0.4312(14) 1.1433(5) 0.103(7) Uani 1 1 d . . .
H33 H -0.2886 0.4557 1.1460 0.124 Uiso 1 1 calc R . .
C34 C -0.4236(17) 0.4084(17) 1.1791(5) 0.129(10) Uani 1 1 d . . .
H34 H -0.3824 0.4226 1.2071 0.155 Uiso 1 1 calc R . .
C35 C -0.542(2) 0.3622(13) 1.1757(6) 0.101(6) Uani 1 1 d . . .
H35 H -0.5743 0.3378 1.2010 0.121 Uiso 1 1 calc R . .
C36 C -0.6121(15) 0.3520(9) 1.1350(6) 0.079(4) Uani 1 1 d . . .
H36 H -0.6943 0.3251 1.1323 0.094 Uiso 1 1 calc R . .
C37 C -0.5511(14) 0.3850(11) 1.0982(5) 0.079(5) Uani 1 1 d . . .
H37 H -0.5957 0.3809 1.0702 0.095 Uiso 1 1 calc R . .
C38 C -0.2402(8) 0.5360(8) 1.0696(4) 0.080(5) Uani 1 1 d G . .
C39 C -0.2584(9) 0.6143(8) 1.0696(5) 0.126(8) Uani 1 1 d G . .
H39 H -0.3354 0.6273 1.0589 0.152 Uiso 1 1 calc R . .
C40 C -0.1640(13) 0.6736(8) 1.0851(5) 0.163(12) Uani 1 1 d G . .
H40 H -0.1765 0.7271 1.0850 0.195 Uiso 1 1 calc R . .
C41 C -0.0514(10) 0.6546(10) 1.1006(4) 0.124(10) Uani 1 1 d G . .
H41 H 0.0131 0.6951 1.1112 0.148 Uiso 1 1 calc R . .
C42 C -0.0332(8) 0.5763(11) 1.1007(4) 0.144(11) Uani 1 1 d G . .
H42 H 0.0438 0.5633 1.1113 0.172 Uiso 1 1 calc R . .
C43 C -0.1275(10) 0.5170(8) 1.0852(4) 0.127(9) Uani 1 1 d G . .
H43 H -0.1151 0.4635 1.0852 0.152 Uiso 1 1 calc R . .
C44 C -0.4268(11) 0.4498(8) 0.9511(3) 0.051(3) Uani 1 1 d . . .
C45 C -0.3912(11) 0.4184(8) 0.9197(4) 0.055(3) Uani 1 1 d . . .
C46 C -0.3442(10) 0.3872(7) 0.8813(3) 0.044(3) Uani 1 1 d . . .
C47 C -0.3373(11) 0.4272(7) 0.8431(3) 0.048(3) Uani 1 1 d . . .
H47 H -0.3641 0.4771 0.8415 0.058 Uiso 1 1 calc R . .
C48 C -0.2928(10) 0.3972(6) 0.8073(3) 0.037(2) Uani 1 1 d . . .
H48 H -0.2885 0.4272 0.7814 0.044 Uiso 1 1 calc R . .
N2 N -0.2543(7) 0.3262(4) 0.8069(2) 0.0277(16) Uani 1 1 d . . .
C49 C -0.2593(10) 0.2868(5) 0.8449(3) 0.038(2) Uani 1 1 d . . .
H49 H -0.2321 0.2369 0.8456 0.045 Uiso 1 1 calc R . .
C50 C -0.3011(10) 0.3142(7) 0.8823(3) 0.042(3) Uani 1 1 d . . .
H50 H -0.3012 0.2847 0.9084 0.051 Uiso 1 1 calc R . .
Pt3 Pt 0.34122(3) 0.77021(2) 0.729251(14) 0.03889(14) Uani 1 1 d . . .
P3 P 0.4496(2) 0.72799(15) 0.67382(10) 0.0399(6) Uani 1 1 d . . .
C51 C 0.3531(12) 0.6764(7) 0.6289(4) 0.051(3) Uani 1 1 d . . .
C52 C 0.2341(14) 0.6864(8) 0.6205(5) 0.066(4) Uani 1 1 d . . .
H52 H 0.2059 0.7228 0.6395 0.080 Uiso 1 1 calc R . .
C53 C 0.151(3) 0.6522(11) 0.5892(8) 0.114(9) Uani 1 1 d . . .
H53 H 0.0694 0.6624 0.5858 0.137 Uiso 1 1 calc R . .
C54 C 0.193(3) 0.606(2) 0.5651(12) 0.114(9) Uani 1 1 d . . .
H54 H 0.1368 0.5786 0.5431 0.137 Uiso 1 1 calc R . .
C55 C 0.323(3) 0.5869(11) 0.5662(8) 0.142(10) Uani 1 1 d . . .
H55 H 0.3501 0.5533 0.5453 0.171 Uiso 1 1 calc R . .
C56 C 0.398(2) 0.6251(13) 0.6021(6) 0.103(6) Uani 1 1 d . . .
H56 H 0.4803 0.6152 0.6075 0.124 Uiso 1 1 calc R . .
C57 C 0.5488(10) 0.6569(6) 0.6909(4) 0.046(3) Uani 1 1 d . . .
C58 C 0.4948(12) 0.5845(7) 0.7064(5) 0.066(4) Uani 1 1 d . . .
H58 H 0.4086 0.5738 0.7088 0.079 Uiso 1 1 calc R . .
C59 C 0.5672(16) 0.5287(11) 0.7181(6) 0.101(7) Uani 1 1 d . . .
H59 H 0.5307 0.4812 0.7307 0.121 Uiso 1 1 calc R . .
C60 C 0.6848(17) 0.5391(12) 0.7123(6) 0.099(7) Uani 1 1 d . . .
H60 H 0.7306 0.4974 0.7174 0.118 Uiso 1 1 calc R . .
C61 C 0.7419(16) 0.6115(11) 0.6987(6) 0.100(7) Uani 1 1 d . . .
H61 H 0.8283 0.6215 0.6968 0.119 Uiso 1 1 calc R . .
C62 C 0.6718(15) 0.6681(9) 0.6880(6) 0.091(6) Uani 1 1 d . . .
H62 H 0.7110 0.7173 0.6781 0.110 Uiso 1 1 calc R . .
C63 C 0.5486(9) 0.8045(5) 0.6447(4) 0.038(2) Uani 1 1 d . . .
C64 C 0.6469(11) 0.8546(7) 0.6723(5) 0.059(3) Uani 1 1 d . . .
H64 H 0.6555 0.8503 0.7034 0.071 Uiso 1 1 calc R . .
C65 C 0.7274(12) 0.9094(9) 0.6493(5) 0.067(4) Uani 1 1 d . . .
H65 H 0.7972 0.9401 0.6644 0.080 Uiso 1 1 calc R . .
C66 C 0.7028(15) 0.9178(7) 0.6037(5) 0.078(5) Uani 1 1 d . . .
H66 H 0.7485 0.9599 0.5890 0.094 Uiso 1 1 calc R . .
C67 C 0.6115(18) 0.8647(9) 0.5797(5) 0.084(5) Uani 1 1 d . . .
H67 H 0.6050 0.8629 0.5485 0.101 Uiso 1 1 calc R . .
C68 C 0.5338(11) 0.8165(8) 0.6030(5) 0.063(3) Uani 1 1 d . . .
H68 H 0.4617 0.7890 0.5876 0.075 Uiso 1 1 calc R . .
C69 C 0.1165(7) 0.7495(5) 0.8089(3) 0.084(5) Uani 1 1 d G . .
C70 C 0.0104(7) 0.7172(5) 0.7837(3) 0.072(4) Uani 1 1 d G . .
H70 H -0.0035 0.7339 0.7545 0.086 Uiso 1 1 calc R . .
C71 C -0.0754(7) 0.6605(5) 0.8013(4) 0.072(4) Uani 1 1 d G . .
H71 H -0.1480 0.6385 0.7841 0.086 Uiso 1 1 calc R . .
C72 C -0.0551(9) 0.6361(6) 0.8441(4) 0.113(7) Uani 1 1 d G . .
H72 H -0.1138 0.5973 0.8562 0.136 Uiso 1 1 calc R . .
C73 C 0.0511(11) 0.6683(7) 0.8693(3) 0.125(8) Uani 1 1 d G . .
H73 H 0.0650 0.6516 0.8985 0.149 Uiso 1 1 calc R . .
C74 C 0.1369(9) 0.7251(7) 0.8516(3) 0.096(6) Uani 1 1 d G . .
H74 H 0.2095 0.7471 0.8688 0.116 Uiso 1 1 calc R . .
P4 P 0.2337(3) 0.81786(19) 0.78262(11) 0.0474(7) Uani 1 1 d . . .
C75 C 0.3341(9) 0.8585(6) 0.8290(3) 0.070(4) Uani 1 1 d G . .
C76 C 0.4275(10) 0.8181(5) 0.8443(3) 0.071(4) Uani 1 1 d G . .
H76 H 0.4416 0.7723 0.8289 0.086 Uiso 1 1 calc R . .
C77 C 0.5004(10) 0.8448(7) 0.8822(4) 0.115(7) Uani 1 1 d G . .
H77 H 0.5643 0.8173 0.8926 0.138 Uiso 1 1 calc R . .
C78 C 0.4798(12) 0.9119(7) 0.9047(3) 0.115(7) Uani 1 1 d G . .
H78 H 0.5296 0.9302 0.9306 0.138 Uiso 1 1 calc R . .
C79 C 0.3863(13) 0.9522(6) 0.8894(4) 0.115(7) Uani 1 1 d G . .
H79 H 0.3723 0.9981 0.9048 0.138 Uiso 1 1 calc R . .
C80 C 0.3135(10) 0.9255(6) 0.8515(4) 0.115(7) Uani 1 1 d G . .
H80 H 0.2496 0.9531 0.8411 0.138 Uiso 1 1 calc R . .
C81 C 0.1595(12) 0.9004(8) 0.7638(4) 0.058(3) Uani 1 1 d . . .
C82 C 0.0639(15) 0.9218(9) 0.7873(5) 0.080(5) Uani 1 1 d . . .
H82 H 0.0381 0.8938 0.8125 0.096 Uiso 1 1 calc R . .
C83 C 0.011(2) 0.9813(14) 0.7735(7) 0.140(11) Uani 1 1 d . . .
H83 H -0.0533 0.9961 0.7891 0.168 Uiso 1 1 calc R . .
C84 C 0.049(2) 1.0253(16) 0.7349(7) 0.136(11) Uani 1 1 d . . .
H84 H 0.0108 1.0688 0.7256 0.164 Uiso 1 1 calc R . .
C85 C 0.1340(14) 1.0037(9) 0.7141(6) 0.083(5) Uani 1 1 d . . .
H85 H 0.1625 1.0338 0.6898 0.100 Uiso 1 1 calc R . .
C86 C 0.1875(10) 0.9379(8) 0.7252(5) 0.061(4) Uani 1 1 d . . .
H86 H 0.2423 0.9190 0.7065 0.073 Uiso 1 1 calc R . .
C87 C 0.2280(10) 0.6670(7) 0.7269(4) 0.043(3) Uani 1 1 d . . .
C88 C 0.1617(9) 0.6047(6) 0.7256(3) 0.039(2) Uani 1 1 d . . .
C89 C 0.0816(8) 0.5312(5) 0.7313(3) 0.034(2) Uani 1 1 d . . .
C90 C 0.0669(10) 0.4997(7) 0.7710(3) 0.049(3) Uani 1 1 d . . .
H90 H 0.1081 0.5272 0.7963 0.059 Uiso 1 1 calc R . .
C91 C -0.0077(9) 0.4272(6) 0.7756(3) 0.041(2) Uani 1 1 d . . .
H91 H -0.0126 0.4045 0.8038 0.049 Uiso 1 1 calc R . .
N3 N -0.0719(7) 0.3894(4) 0.7411(2) 0.0284(16) Uani 1 1 d . . .
C92 C -0.0605(9) 0.4195(6) 0.7013(3) 0.037(2) Uani 1 1 d . . .
H92 H -0.1059 0.3916 0.6768 0.044 Uiso 1 1 calc R . .
C93 C 0.0133(8) 0.4886(6) 0.6943(3) 0.040(2) Uani 1 1 d . . .
H93 H 0.0197 0.5083 0.6655 0.048 Uiso 1 1 calc R . .
C94 C 0.4464(9) 0.8762(6) 0.7381(4) 0.047(3) Uani 1 1 d . . .
C95 C 0.5037(10) 0.9406(7) 0.7455(4) 0.050(3) Uani 1 1 d . . .
C96 C 0.5713(9) 1.0171(6) 0.7529(3) 0.038(2) Uani 1 1 d . . .
C97 C 0.5146(9) 1.0840(7) 0.7581(4) 0.047(3) Uani 1 1 d . . .
H97 H 0.4277 1.0781 0.7580 0.056 Uiso 1 1 calc R . .
C98 C 0.5854(9) 1.1594(6) 0.7633(3) 0.038(2) Uani 1 1 d . . .
H98 H 0.5456 1.2034 0.7688 0.045 Uiso 1 1 calc R . .
N4 N 0.7088(7) 1.1714(5) 0.7607(3) 0.0361(18) Uani 1 1 d . . .
C99 C 0.7624(9) 1.1033(6) 0.7565(4) 0.039(2) Uani 1 1 d . . .
H99 H 0.8492 1.1094 0.7562 0.047 Uiso 1 1 calc R . .
C100 C 0.6987(10) 1.0298(6) 0.7529(4) 0.049(3) Uani 1 1 d . . .
H100 H 0.7410 0.9861 0.7503 0.058 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni4 N4 2.086(8) 1_445 ?
Ni4 N2 2.088(7) . ?
Ni4 N1 2.102(7) . ?
Ni4 N3 2.118(7) . ?
Ni4 Cl2 2.322(8) . ?
Ni4 Cl1 2.366(5) . ?
Pt1 C19 1.987(10) 2_556 ?
Pt1 C19 1.987(10) . ?
Pt1 P1 2.295(2) 2_556 ?
Pt1 P1 2.295(2) . ?
P1 C13 1.791(11) . ?
P1 C1 1.828(11) . ?
P1 C7 1.835(11) . ?
C1 C2 1.380(18) . ?
C1 C6 1.378(15) . ?
C2 C3 1.408(18) . ?
C2 H2 0.9500 . ?
C3 C4 1.38(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.32(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.401(16) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.355(19) . ?
C7 C12 1.41(2) . ?
C8 C9 1.50(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.28(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.33(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.39(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.375(16) . ?
C13 C18 1.381(18) . ?
C14 C15 1.416(19) . ?
C14 H14 0.9500 . ?
C15 C16 1.40(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.42(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.410(17) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.221(14) . ?
C20 C21 1.394(14) . ?
C21 C22 1.387(14) . ?
C21 C25 1.405(12) . ?
C22 C23 1.398(14) . ?
C22 H22 0.9500 . ?
C23 N1 1.323(11) . ?
C23 H23 0.9500 . ?
N1 C24 1.371(12) . ?
C24 C25 1.339(14) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
Pt2 C44 1.992(11) . ?
Pt2 C44 1.992(11) 2_467 ?
Pt2 P2 2.303(3) . ?
Pt2 P2 2.303(3) 2_467 ?
P2 C26 1.799(17) . ?
P2 C32 1.804(14) . ?
P2 C38 1.812(10) . ?
C26 C27 1.37(2) . ?
C26 C31 1.46(3) . ?
C27 C28 1.44(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.33(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.33(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.37(3) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.36(2) . ?
C32 C33 1.409(19) . ?
C33 C34 1.30(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.42(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.41(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.43(2) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.3900 . ?
C38 C43 1.3900 . ?
C39 C40 1.3900 . ?
C39 H39 0.9500 . ?
C40 C41 1.3900 . ?
C40 H40 0.9500 . ?
C41 C42 1.3900 . ?
C41 H41 0.9500 . ?
C42 C43 1.3900 . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.212(16) . ?
C45 C46 1.443(16) . ?
C46 C47 1.361(15) . ?
C46 C50 1.409(15) . ?
C47 C48 1.355(14) . ?
C47 H47 0.9500 . ?
C48 N2 1.352(12) . ?
C48 H48 0.9500 . ?
N2 C49 1.349(12) . ?
C49 C50 1.365(14) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
Pt3 C87 2.000(11) . ?
Pt3 C94 2.004(9) . ?
Pt3 P4 2.295(3) . ?
Pt3 P3 2.310(3) . ?
P3 C51 1.806(13) . ?
P3 C57 1.823(10) . ?
P3 C63 1.851(9) . ?
C51 C52 1.361(19) . ?
C51 C56 1.37(2) . ?
C52 C53 1.34(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.24(5) . ?
C53 H53 0.9500 . ?
C54 C55 1.52(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.42(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.352(18) . ?
C57 C58 1.395(15) . ?
C58 C59 1.378(19) . ?
C58 H58 0.9500 . ?
C59 C60 1.31(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.38(2) . ?
C60 H60 0.9500 . ?
C61 C62 1.364(19) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.293(17) . ?
C63 C64 1.480(17) . ?
C64 C65 1.419(17) . ?
C64 H64 0.9500 . ?
C65 C66 1.41(2) . ?
C65 H65 0.9500 . ?
C66 C67 1.41(2) . ?
C66 H66 0.9500 . ?
C67 C68 1.343(18) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.3900 . ?
C69 C74 1.3900 . ?
C69 P4 1.840(7) . ?
C70 C71 1.3900 . ?
C70 H70 0.9500 . ?
C71 C72 1.3900 . ?
C71 H71 0.9500 . ?
C72 C73 1.3900 . ?
C72 H72 0.9500 . ?
C73 C74 1.3900 . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
P4 C75 1.796(8) . ?
P4 C81 1.825(12) . ?
C75 C76 1.3900 . ?
C75 C80 1.3900 . ?
C76 C77 1.3900 . ?
C76 H76 0.9500 . ?
C77 C78 1.3900 . ?
C77 H77 0.9500 . ?
C78 C79 1.3900 . ?
C78 H78 0.9500 . ?
C79 C80 1.3900 . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C86 1.381(17) . ?
C81 C82 1.407(17) . ?
C82 C83 1.31(2) . ?
C82 H82 0.9500 . ?
C83 C84 1.46(3) . ?
C83 H83 0.9500 . ?
C84 C85 1.27(2) . ?
C84 H84 0.9500 . ?
C85 C86 1.389(17) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C88 1.196(14) . ?
C88 C89 1.443(12) . ?
C89 C90 1.340(14) . ?
C89 C93 1.436(14) . ?
C90 C91 1.397(14) . ?
C90 H90 0.9500 . ?
C91 N3 1.328(12) . ?
C91 H91 0.9500 . ?
N3 C92 1.330(12) . ?
C92 C93 1.358(13) . ?
C92 H92 0.9500 . ?
C93 H93 0.9500 . ?
C94 C95 1.195(15) . ?
C95 C96 1.412(15) . ?
C96 C100 1.391(14) . ?
C96 C97 1.402(15) . ?
C97 C98 1.405(14) . ?
C97 H97 0.9500 . ?
C98 N4 1.355(12) . ?
C98 H98 0.9500 . ?
N4 C99 1.399(13) . ?
N4 Ni4 2.086(8) 1_665 ?
C99 C100 1.344(14) . ?
C99 H99 0.9500 . ?
C100 H100 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
N4 Ni4 N2 89.9(3) 1_445 . ?
N4 Ni4 N1 87.2(3) 1_445 . ?
N2 Ni4 N1 175.2(3) . . ?
N4 Ni4 N3 176.6(3) 1_445 . ?
N2 Ni4 N3 92.3(3) . . ?
N1 Ni4 N3 90.8(3) . . ?
N4 Ni4 Cl2 93.8(3) 1_445 . ?
N2 Ni4 Cl2 87.0(3) . . ?
N1 Ni4 Cl2 89.4(3) . . ?
N3 Ni4 Cl2 88.9(3) . . ?
N4 Ni4 Cl1 88.0(2) 1_445 . ?
N2 Ni4 Cl1 91.7(2) . . ?
N1 Ni4 Cl1 92.1(2) . . ?
N3 Ni4 Cl1 89.4(2) . . ?
Cl2 Ni4 Cl1 177.7(2) . . ?
C19 Pt1 C19 180.0(3) 2_556 . ?
C19 Pt1 P1 90.8(3) 2_556 2_556 ?
C19 Pt1 P1 89.2(3) . 2_556 ?
C19 Pt1 P1 89.2(3) 2_556 . ?
C19 Pt1 P1 90.8(3) . . ?
P1 Pt1 P1 179.997(1) 2_556 . ?
C13 P1 C1 100.4(5) . . ?
C13 P1 C7 107.1(6) . . ?
C1 P1 C7 106.5(5) . . ?
C13 P1 Pt1 119.7(4) . . ?
C1 P1 Pt1 116.9(3) . . ?
C7 P1 Pt1 105.3(4) . . ?
C2 C1 C6 118.4(11) . . ?
C2 C1 P1 124.4(9) . . ?
C6 C1 P1 117.1(8) . . ?
C1 C2 C3 120.9(13) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 H2 119.5 . . ?
C4 C3 C2 117.6(13) . . ?
C4 C3 H3 121.2 . . ?
C2 C3 H3 121.2 . . ?
C5 C4 C3 122.6(11) . . ?
C5 C4 H4 118.7 . . ?
C3 C4 H4 118.7 . . ?
C4 C5 C6 119.8(12) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.6(12) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C12 123.2(13) . . ?
C8 C7 P1 123.4(13) . . ?
C12 C7 P1 113.3(10) . . ?
C7 C8 C9 113.9(18) . . ?
C7 C8 H8 123.0 . . ?
C9 C8 H8 123.0 . . ?
C10 C9 C8 120.6(19) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 125(2) . . ?
C9 C10 H10 117.3 . . ?
C11 C10 H10 117.3 . . ?
C10 C11 C12 118(2) . . ?
C10 C11 H11 120.8 . . ?
C12 C11 H11 120.8 . . ?
C11 C12 C7 118.4(18) . . ?
C11 C12 H12 120.8 . . ?
C7 C12 H12 120.8 . . ?
C14 C13 C18 118.4(10) . . ?
C14 C13 P1 119.3(10) . . ?
C18 C13 P1 121.7(8) . . ?
C13 C14 C15 123.5(14) . . ?
C13 C14 H14 118.3 . . ?
C15 C14 H14 118.3 . . ?
C16 C15 C14 115.4(14) . . ?
C16 C15 H15 122.3 . . ?
C14 C15 H15 122.3 . . ?
C15 C16 C17 123.9(13) . . ?
C15 C16 H16 118.1 . . ?
C17 C16 H16 118.1 . . ?
C18 C17 C16 115.9(16) . . ?
C18 C17 H17 122.0 . . ?
C16 C17 H17 122.0 . . ?
C13 C18 C17 122.7(13) . . ?
C13 C18 H18 118.7 . . ?
C17 C18 H18 118.7 . . ?
C20 C19 Pt1 177.7(9) . . ?
C19 C20 C21 176.9(11) . . ?
C22 C21 C20 124.0(9) . . ?
C22 C21 C25 114.5(9) . . ?
C20 C21 C25 121.5(9) . . ?
C21 C22 C23 121.5(8) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 H22 119.2 . . ?
N1 C23 C22 122.4(8) . . ?
N1 C23 H23 118.8 . . ?
C22 C23 H23 118.8 . . ?
C23 N1 C24 116.3(8) . . ?
C23 N1 Ni4 124.1(6) . . ?
C24 N1 Ni4 119.2(6) . . ?
C25 C24 N1 123.8(9) . . ?
C25 C24 H24 118.1 . . ?
N1 C24 H24 118.1 . . ?
C24 C25 C21 121.4(9) . . ?
C24 C25 H25 119.3 . . ?
C21 C25 H25 119.3 . . ?
C44 Pt2 C44 180.0(7) . 2_467 ?
C44 Pt2 P2 91.6(3) . . ?
C44 Pt2 P2 88.4(3) 2_467 . ?
C44 Pt2 P2 88.4(3) . 2_467 ?
C44 Pt2 P2 91.6(3) 2_467 2_467 ?
P2 Pt2 P2 179.998(2) . 2_467 ?
C26 P2 C32 103.7(8) . . ?
C26 P2 C38 104.2(9) . . ?
C32 P2 C38 105.6(6) . . ?
C26 P2 Pt2 116.5(5) . . ?
C32 P2 Pt2 113.9(4) . . ?
C38 P2 Pt2 111.9(4) . . ?
C27 C26 C31 118.0(19) . . ?
C27 C26 P2 122.2(19) . . ?
C31 C26 P2 119.8(14) . . ?
C26 C27 C28 122(3) . . ?
C26 C27 H27 118.9 . . ?
C28 C27 H27 118.9 . . ?
C29 C28 C27 120(2) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C30 C29 C28 115(2) . . ?
C30 C29 H29 122.4 . . ?
C28 C29 H29 122.4 . . ?
C29 C30 C31 132(3) . . ?
C29 C30 H30 113.8 . . ?
C31 C30 H30 113.8 . . ?
C30 C31 C26 112(2) . . ?
C30 C31 H31 124.0 . . ?
C26 C31 H31 124.0 . . ?
C37 C32 C33 116.3(14) . . ?
C37 C32 P2 119.3(10) . . ?
C33 C32 P2 124.3(13) . . ?
C34 C33 C32 124.2(19) . . ?
C34 C33 H33 117.9 . . ?
C32 C33 H33 117.9 . . ?
C33 C34 C35 119.0(19) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 H34 120.5 . . ?
C34 C35 C36 120.7(16) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C37 115.3(16) . . ?
C35 C36 H36 122.3 . . ?
C37 C36 H36 122.3 . . ?
C32 C37 C36 123.6(14) . . ?
C32 C37 H37 118.2 . . ?
C36 C37 H37 118.2 . . ?
C39 C38 C43 120.0 . . ?
C39 C38 P2 120.6(7) . . ?
C43 C38 P2 119.3(7) . . ?
C38 C39 C40 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 C41 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 120.0 . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 C38 120.0 . . ?
C42 C43 H43 120.0 . . ?
C38 C43 H43 120.0 . . ?
C45 C44 Pt2 174.9(10) . . ?
C44 C45 C46 175.4(15) . . ?
C47 C46 C50 117.3(10) . . ?
C47 C46 C45 121.8(10) . . ?
C50 C46 C45 120.9(10) . . ?
C48 C47 C46 121.1(11) . . ?
C48 C47 H47 119.4 . . ?
C46 C47 H47 119.4 . . ?
N2 C48 C47 122.9(9) . . ?
N2 C48 H48 118.6 . . ?
C47 C48 H48 118.6 . . ?
C49 N2 C48 116.3(8) . . ?
C49 N2 Ni4 121.7(6) . . ?
C48 N2 Ni4 122.0(6) . . ?
N2 C49 C50 123.9(9) . . ?
N2 C49 H49 118.1 . . ?
C50 C49 H49 118.1 . . ?
C49 C50 C46 118.6(9) . . ?
C49 C50 H50 120.7 . . ?
C46 C50 H50 120.7 . . ?
C87 Pt3 C94 173.4(5) . . ?
C87 Pt3 P4 90.9(3) . . ?
C94 Pt3 P4 82.7(4) . . ?
C87 Pt3 P3 91.1(3) . . ?
C94 Pt3 P3 95.4(4) . . ?
P4 Pt3 P3 177.22(10) . . ?
C51 P3 C57 102.8(6) . . ?
C51 P3 C63 102.0(5) . . ?
C57 P3 C63 105.0(5) . . ?
C51 P3 Pt3 113.7(4) . . ?
C57 P3 Pt3 114.3(4) . . ?
C63 P3 Pt3 117.3(3) . . ?
C52 C51 C56 117.6(14) . . ?
C52 C51 P3 122.1(11) . . ?
C56 C51 P3 120.3(12) . . ?
C53 C52 C51 129.1(19) . . ?
C53 C52 H52 115.4 . . ?
C51 C52 H52 115.4 . . ?
C54 C53 C52 113(3) . . ?
C54 C53 H53 123.6 . . ?
C52 C53 H53 123.6 . . ?
C53 C54 C55 128(3) . . ?
C53 C54 H54 115.8 . . ?
C55 C54 H54 115.8 . . ?
C56 C55 C54 112(2) . . ?
C56 C55 H55 123.9 . . ?
C54 C55 H55 123.9 . . ?
C51 C56 C55 120(2) . . ?
C51 C56 H56 120.2 . . ?
C55 C56 H56 120.2 . . ?
C62 C57 C58 117.1(11) . . ?
C62 C57 P3 124.4(9) . . ?
C58 C57 P3 118.4(9) . . ?
C59 C58 C57 119.6(13) . . ?
C59 C58 H58 120.2 . . ?
C57 C58 H58 120.2 . . ?
C60 C59 C58 121.9(14) . . ?
C60 C59 H59 119.1 . . ?
C58 C59 H59 119.1 . . ?
C59 C60 C61 119.6(13) . . ?
C59 C60 H60 120.2 . . ?
C61 C60 H60 120.2 . . ?
C62 C61 C60 118.8(15) . . ?
C62 C61 H61 120.6 . . ?
C60 C61 H61 120.6 . . ?
C57 C62 C61 122.6(14) . . ?
C57 C62 H62 118.7 . . ?
C61 C62 H62 118.7 . . ?
C68 C63 C64 120.3(10) . . ?
C68 C63 P3 123.8(9) . . ?
C64 C63 P3 115.9(8) . . ?
C65 C64 C63 115.4(12) . . ?
C65 C64 H64 122.3 . . ?
C63 C64 H64 122.3 . . ?
C66 C65 C64 119.4(14) . . ?
C66 C65 H65 120.3 . . ?
C64 C65 H65 120.3 . . ?
C65 C66 C67 120.8(11) . . ?
C65 C66 H66 119.6 . . ?
C67 C66 H66 119.6 . . ?
C68 C67 C66 116.9(14) . . ?
C68 C67 H67 121.6 . . ?
C66 C67 H67 121.6 . . ?
C63 C68 C67 125.6(14) . . ?
C63 C68 H68 117.2 . . ?
C67 C68 H68 117.2 . . ?
C70 C69 C74 120.0 . . ?
C70 C69 P4 118.4(5) . . ?
C74 C69 P4 121.3(5) . . ?
C69 C70 C71 120.0 . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H71 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C72 C73 120.0 . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C74 C69 120.0 . . ?
C73 C74 H74 120.0 . . ?
C69 C74 H74 120.0 . . ?
C75 P4 C81 103.9(6) . . ?
C75 P4 C69 102.2(5) . . ?
C81 P4 C69 106.5(5) . . ?
C75 P4 Pt3 111.3(4) . . ?
C81 P4 Pt3 112.3(4) . . ?
C69 P4 Pt3 119.2(4) . . ?
C76 C75 C80 120.0 . . ?
C76 C75 P4 118.8(6) . . ?
C80 C75 P4 121.0(6) . . ?
C77 C76 C75 120.0 . . ?
C77 C76 H76 120.0 . . ?
C75 C76 H76 120.0 . . ?
C76 C77 C78 120.0 . . ?
C76 C77 H77 120.0 . . ?
C78 C77 H77 120.0 . . ?
C77 C78 C79 120.0 . . ?
C77 C78 H78 120.0 . . ?
C79 C78 H78 120.0 . . ?
C78 C79 C80 120.0 . . ?
C78 C79 H79 120.0 . . ?
C80 C79 H79 120.0 . . ?
C79 C80 C75 120.0 . . ?
C79 C80 H80 120.0 . . ?
C75 C80 H80 120.0 . . ?
C86 C81 C82 119.1(11) . . ?
C86 C81 P4 121.7(9) . . ?
C82 C81 P4 119.1(10) . . ?
C83 C82 C81 118.6(15) . . ?
C83 C82 H82 120.7 . . ?
C81 C82 H82 120.7 . . ?
C82 C83 C84 121.9(16) . . ?
C82 C83 H83 119.0 . . ?
C84 C83 H83 119.0 . . ?
C85 C84 C83 118.0(16) . . ?
C85 C84 H84 121.0 . . ?
C83 C84 H84 121.0 . . ?
C84 C85 C86 122.8(15) . . ?
C84 C85 H85 118.6 . . ?
C86 C85 H85 118.6 . . ?
C81 C86 C85 119.0(12) . . ?
C81 C86 H86 120.5 . . ?
C85 C86 H86 120.5 . . ?
C88 C87 Pt3 179.0(10) . . ?
C87 C88 C89 171.0(11) . . ?
C90 C89 C93 117.0(9) . . ?
C90 C89 C88 122.1(9) . . ?
C93 C89 C88 120.9(9) . . ?
C89 C90 C91 121.1(9) . . ?
C89 C90 H90 119.4 . . ?
C91 C90 H90 119.4 . . ?
N3 C91 C90 120.9(9) . . ?
N3 C91 H91 119.6 . . ?
C90 C91 H91 119.6 . . ?
C91 N3 C92 119.4(8) . . ?
C91 N3 Ni4 118.5(6) . . ?
C92 N3 Ni4 122.1(6) . . ?
N3 C92 C93 122.7(9) . . ?
N3 C92 H92 118.6 . . ?
C93 C92 H92 118.6 . . ?
C92 C93 C89 118.8(9) . . ?
C92 C93 H93 120.6 . . ?
C89 C93 H93 120.6 . . ?
C95 C94 Pt3 175.4(12) . . ?
C94 C95 C96 178.4(13) . . ?
C100 C96 C97 116.9(9) . . ?
C100 C96 C95 120.6(10) . . ?
C97 C96 C95 122.5(10) . . ?
C98 C97 C96 120.5(9) . . ?
C98 C97 H97 119.7 . . ?
C96 C97 H97 119.7 . . ?
N4 C98 C97 121.9(9) . . ?
N4 C98 H98 119.0 . . ?
C97 C98 H98 119.0 . . ?
C98 N4 C99 115.8(8) . . ?
C98 N4 Ni4 123.9(7) . 1_665 ?
C99 N4 Ni4 119.3(6) . 1_665 ?
C100 C99 N4 124.1(9) . . ?
C100 C99 H99 118.0 . . ?
N4 C99 H99 118.0 . . ?
C99 C100 C96 120.6(10) . . ?
C99 C100 H100 119.7 . . ?
C96 C100 H100 119.7 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.075
_refine_diff_density_min         -1.477
_refine_diff_density_rms         0.220

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.011 -0.006 0.006 2001 626 ' '
_platon_squeeze_details          
; 
;
####################################################################### 
# 
# 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_e2887a
_database_code_depnum_ccdc_archive 'CCDC 1403452'
_audit_update_record             
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C100 H76 Cl2 Co N4 P4 Pt2,C H Cl3,3(H2 O)'
_chemical_formula_sum            'C101 H83 Cl5 Co N4 O3 P4 Pt2'
_chemical_formula_weight         2150.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.0755(2)
_cell_length_b                   17.2285(3)
_cell_length_c                   30.5221(6)
_cell_angle_alpha                89.7140(10)
_cell_angle_beta                 86.0250(10)
_cell_angle_gamma                81.0480(10)
_cell_volume                     5739.17(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9935
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      25.41

_exptl_crystal_description       prism
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2138
_exptl_absorpt_coefficient_mu    2.789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8505
_exptl_absorpt_correction_T_max  0.8731
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 We didn't identify all the solvents so we used 
the squeezze command. Many constrains were used 
the solvents 
;

_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            30865
_diffrn_reflns_av_R_equivalents  0.0678
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         0.67
_diffrn_reflns_theta_max         29.33
_reflns_number_total             30865
_reflns_number_gt                22151
_reflns_threshold_expression     >2sigma(I)

_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          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1267P)²+0.0100P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         30865
_refine_ls_number_parameters     1198
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0617
_refine_ls_wR_factor_ref         0.2118
_refine_ls_wR_factor_gt          0.1987
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.055
_refine_ls_shift/su_mean         0.003

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 1.19839(8) -0.22314(4) 0.25058(3) 0.02131(18) Uani 1 1 d . . .
Cl1 Cl 1.02761(17) -0.26740(11) 0.29516(6) 0.0383(4) Uani 1 1 d . . .
Cl2 Cl 1.36889(17) -0.17774(10) 0.20685(6) 0.0348(4) Uani 1 1 d . . .
Pt1 Pt 0.66563(2) 0.265288(13) 0.227544(9) 0.02651(8) Uani 1 1 d . . .
P1 P 0.77201(16) 0.31269(10) 0.28120(6) 0.0284(4) Uani 1 1 d . . .
C1 C 0.6712(8) 0.3542(5) 0.3279(3) 0.0427(19) Uani 1 1 d . . .
C2 C 0.5773(8) 0.3155(5) 0.3419(4) 0.057(3) Uani 1 1 d . . .
H2 H 0.5641 0.2701 0.3265 0.068 Uiso 1 1 calc R . .
C3 C 0.4998(12) 0.3423(8) 0.3791(5) 0.097(5) Uani 1 1 d . . .
H3 H 0.4368 0.3141 0.3898 0.116 Uiso 1 1 calc R . .
C4 C 0.5171(18) 0.4103(10) 0.3998(7) 0.156(9) Uani 1 1 d . . .
H4 H 0.4645 0.4295 0.4246 0.187 Uiso 1 1 calc R . .
C5 C 0.6090(17) 0.4507(10) 0.3850(6) 0.137(7) Uani 1 1 d . . .
H5 H 0.6204 0.4977 0.3992 0.165 Uiso 1 1 calc R . .
C6 C 0.6865(12) 0.4209(7) 0.3482(4) 0.087(4) Uani 1 1 d . . .
H6 H 0.7505 0.4484 0.3375 0.104 Uiso 1 1 calc R . .
C7 C 0.8515(7) 0.3919(4) 0.2614(2) 0.0344(16) Uani 1 1 d . . .
C8 C 0.8183(7) 0.4339(5) 0.2255(3) 0.0403(18) Uani 1 1 d . . .
H8 H 0.7571 0.4183 0.2087 0.048 Uiso 1 1 calc R . .
C9 C 0.8714(8) 0.5001(6) 0.2124(3) 0.053(2) Uani 1 1 d . . .
H9 H 0.8463 0.5300 0.1874 0.063 Uiso 1 1 calc R . .
C10 C 0.9628(10) 0.5197(7) 0.2375(4) 0.071(3) Uani 1 1 d . . .
H10 H 1.0020 0.5632 0.2290 0.085 Uiso 1 1 calc R . .
C11 C 0.9961(10) 0.4805(7) 0.2723(4) 0.071(3) Uani 1 1 d . . .
H11 H 1.0564 0.4973 0.2891 0.085 Uiso 1 1 calc R . .
C12 C 0.9449(9) 0.4144(5) 0.2854(3) 0.050(2) Uani 1 1 d . . .
H12 H 0.9726 0.3849 0.3101 0.060 Uiso 1 1 calc R . .
C13 C 0.8872(7) 0.2434(5) 0.3059(3) 0.0384(17) Uani 1 1 d . . .
C14 C 0.8688(8) 0.2208(6) 0.3506(3) 0.058(3) Uani 1 1 d . . .
H14 H 0.7963 0.2421 0.3677 0.070 Uiso 1 1 calc R . .
C15 C 0.9598(11) 0.1663(7) 0.3692(4) 0.080(4) Uani 1 1 d . . .
H15 H 0.9492 0.1504 0.3989 0.096 Uiso 1 1 calc R . .
C16 C 1.0643(9) 0.1364(7) 0.3436(4) 0.070(3) Uani 1 1 d . . .
H16 H 1.1245 0.0982 0.3555 0.084 Uiso 1 1 calc R . .
C17 C 1.0817(9) 0.1606(6) 0.3024(4) 0.062(3) Uani 1 1 d . . .
H17 H 1.1567 0.1419 0.2861 0.075 Uiso 1 1 calc R . .
C18 C 0.9932(8) 0.2121(6) 0.2828(3) 0.053(2) Uani 1 1 d . . .
H18 H 1.0065 0.2259 0.2528 0.064 Uiso 1 1 calc R . .
P2 P 0.55567(16) 0.22578(10) 0.17246(6) 0.0284(4) Uani 1 1 d . . .
C19 C 0.4540(6) 0.3016(4) 0.1458(3) 0.0336(16) Uani 1 1 d . . .
C20 C 0.4653(8) 0.3157(5) 0.1010(3) 0.0447(19) Uani 1 1 d . . .
H20 H 0.5313 0.2863 0.0838 0.054 Uiso 1 1 calc R . .
C21 C 0.3849(9) 0.3702(6) 0.0810(4) 0.061(3) Uani 1 1 d . . .
H21 H 0.3939 0.3764 0.0500 0.073 Uiso 1 1 calc R . .
C22 C 0.2929(9) 0.4155(6) 0.1045(4) 0.061(3) Uani 1 1 d . . .
H22 H 0.2387 0.4538 0.0900 0.073 Uiso 1 1 calc R . .
C23 C 0.2760(8) 0.4065(5) 0.1512(3) 0.048(2) Uani 1 1 d . . .
H23 H 0.2114 0.4381 0.1680 0.057 Uiso 1 1 calc R . .
C24 C 0.3601(7) 0.3482(4) 0.1712(3) 0.0386(18) Uani 1 1 d . . .
H24 H 0.3524 0.3408 0.2020 0.046 Uiso 1 1 calc R . .
C25 C 0.4572(7) 0.1540(4) 0.1905(2) 0.0324(16) Uani 1 1 d . . .
C26 C 0.5114(7) 0.0827(4) 0.2056(3) 0.0386(18) Uani 1 1 d . . .
H26 H 0.5974 0.0734 0.2082 0.046 Uiso 1 1 calc R . .
C27 C 0.4423(8) 0.0238(4) 0.2172(3) 0.045(2) Uani 1 1 d . . .
H27 H 0.4809 -0.0253 0.2276 0.054 Uiso 1 1 calc R . .
C28 C 0.3192(9) 0.0371(5) 0.2135(3) 0.052(2) Uani 1 1 d . . .
H28 H 0.2721 -0.0035 0.2202 0.063 Uiso 1 1 calc R . .
C29 C 0.2629(8) 0.1087(5) 0.2002(4) 0.059(3) Uani 1 1 d . . .
H29 H 0.1764 0.1184 0.1992 0.070 Uiso 1 1 calc R . .
C30 C 0.3311(8) 0.1673(5) 0.1881(3) 0.053(3) Uani 1 1 d . . .
H30 H 0.2914 0.2165 0.1782 0.064 Uiso 1 1 calc R . .
C31 C 0.6482(7) 0.1738(4) 0.1274(3) 0.0395(18) Uani 1 1 d . . .
C32 C 0.5987(11) 0.1243(6) 0.0994(3) 0.067(3) Uani 1 1 d . . .
H32 H 0.5154 0.1172 0.1043 0.081 Uiso 1 1 calc R . .
C33 C 0.6709(16) 0.0858(8) 0.0647(5) 0.107(5) Uani 1 1 d . . .
H33 H 0.6363 0.0530 0.0457 0.129 Uiso 1 1 calc R . .
C34 C 0.7911(14) 0.0944(7) 0.0574(4) 0.095(4) Uani 1 1 d . . .
H34 H 0.8405 0.0660 0.0343 0.114 Uiso 1 1 calc R . .
C35 C 0.8408(10) 0.1443(6) 0.0837(3) 0.064(3) Uani 1 1 d . . .
H35 H 0.9228 0.1531 0.0773 0.077 Uiso 1 1 calc R . .
C36 C 0.7710(9) 0.1824(5) 0.1198(3) 0.050(2) Uani 1 1 d . . .
H36 H 0.8074 0.2140 0.1389 0.059 Uiso 1 1 calc R . .
C37 C 0.5594(6) 0.3695(4) 0.2355(3) 0.0335(16) Uani 1 1 d . . .
C38 C 0.5060(6) 0.4343(4) 0.2435(3) 0.0341(16) Uani 1 1 d . . .
C39 C 0.4397(6) 0.5101(4) 0.2512(2) 0.0324(15) Uani 1 1 d . . .
C40 C 0.3105(6) 0.5244(4) 0.2528(3) 0.0362(17) Uani 1 1 d . . .
H40 H 0.2660 0.4817 0.2512 0.043 Uiso 1 1 calc R . .
C41 C 0.2497(7) 0.5990(4) 0.2565(3) 0.0367(17) Uani 1 1 d . . .
H41 H 0.1629 0.6069 0.2562 0.044 Uiso 1 1 calc R . .
N1 N 0.3051(5) 0.6622(3) 0.26060(18) 0.0246(11) Uani 1 1 d . . .
C42 C 0.4261(6) 0.6497(3) 0.2614(2) 0.0246(13) Uani 1 1 d . . .
H42 H 0.4665 0.6936 0.2656 0.030 Uiso 1 1 calc R . .
C43 C 0.4960(6) 0.5772(4) 0.2564(2) 0.0292(15) Uani 1 1 d . . .
H43 H 0.5826 0.5720 0.2564 0.035 Uiso 1 1 calc R . .
C44 C 0.7766(7) 0.1628(4) 0.2245(2) 0.0303(15) Uani 1 1 d . . .
C45 C 0.8438(6) 0.1017(4) 0.2247(2) 0.0311(15) Uani 1 1 d . . .
C46 C 0.9255(6) 0.0281(4) 0.2293(2) 0.0283(14) Uani 1 1 d . . .
C47 C 0.9924(6) -0.0109(4) 0.1942(2) 0.0284(14) Uani 1 1 d . . .
H47 H 0.9865 0.0101 0.1655 0.034 Uiso 1 1 calc R . .
C48 C 1.0692(6) -0.0817(4) 0.2010(2) 0.0261(13) Uani 1 1 d . . .
H48 H 1.1150 -0.1076 0.1764 0.031 Uiso 1 1 calc R . .
N2 N 1.0811(5) -0.1145(3) 0.24041(18) 0.0264(12) Uani 1 1 d . . .
C49 C 1.0166(8) -0.0762(4) 0.2739(2) 0.0374(18) Uani 1 1 d . . .
H49 H 1.0236 -0.0993 0.3021 0.045 Uiso 1 1 calc R . .
C50 C 0.9392(8) -0.0047(5) 0.2711(3) 0.0426(19) Uani 1 1 d . . .
H50 H 0.8972 0.0208 0.2965 0.051 Uiso 1 1 calc R . .
Pt2 Pt 1.0000 -0.5000 0.0000 0.02071(9) Uani 1 2 d S . .
P3 P 0.85998(16) -0.55762(10) 0.04278(5) 0.0252(3) Uani 1 1 d . . .
C51 C 0.7537(6) -0.4981(5) 0.0816(2) 0.0336(16) Uani 1 1 d . . .
C52 C 0.6692(7) -0.5334(6) 0.1079(3) 0.046(2) Uani 1 1 d . . .
H52 H 0.6693 -0.5884 0.1058 0.056 Uiso 1 1 calc R . .
C53 C 0.5851(8) -0.4881(8) 0.1368(3) 0.063(3) Uani 1 1 d . . .
H53 H 0.5276 -0.5124 0.1544 0.075 Uiso 1 1 calc R . .
C54 C 0.5839(8) -0.4086(7) 0.1404(3) 0.059(3) Uani 1 1 d . . .
H54 H 0.5278 -0.3785 0.1611 0.071 Uiso 1 1 calc R . .
C55 C 0.6633(8) -0.3731(6) 0.1141(3) 0.050(2) Uani 1 1 d . . .
H55 H 0.6609 -0.3178 0.1162 0.060 Uiso 1 1 calc R . .
C56 C 0.7489(7) -0.4170(5) 0.0839(2) 0.0397(18) Uani 1 1 d . . .
H56 H 0.8028 -0.3916 0.0653 0.048 Uiso 1 1 calc R . .
C57 C 0.7545(6) -0.6060(4) 0.0136(2) 0.0302(15) Uani 1 1 d . . .
C58 C 0.7483(9) -0.6836(6) 0.0158(3) 0.053(2) Uani 1 1 d . . .
H58 H 0.8043 -0.7159 0.0329 0.064 Uiso 1 1 calc R . .
C59 C 0.6617(12) -0.7194(8) -0.0062(4) 0.084(4) Uani 1 1 d . . .
H59 H 0.6604 -0.7744 -0.0046 0.101 Uiso 1 1 calc R . .
C60 C 0.5808(10) -0.6713(8) -0.0298(3) 0.071(3) Uani 1 1 d . . .
H60 H 0.5215 -0.6929 -0.0450 0.086 Uiso 1 1 calc R . .
C61 C 0.5840(8) -0.5895(6) -0.0320(3) 0.052(2) Uani 1 1 d . . .
H61 H 0.5269 -0.5564 -0.0483 0.062 Uiso 1 1 calc R . .
C62 C 0.6696(7) -0.5584(5) -0.0106(2) 0.0408(18) Uani 1 1 d . . .
H62 H 0.6715 -0.5035 -0.0121 0.049 Uiso 1 1 calc R . .
C63 C 0.9485(7) -0.6353(5) 0.0735(2) 0.0352(16) Uani 1 1 d . . .
C64 C 1.0344(9) -0.6856(5) 0.0504(4) 0.061(3) Uani 1 1 d . . .
H64 H 1.0460 -0.6809 0.0195 0.073 Uiso 1 1 calc R . .
C65 C 1.1077(13) -0.7460(7) 0.0731(6) 0.098(5) Uani 1 1 d . . .
H65 H 1.1681 -0.7816 0.0567 0.117 Uiso 1 1 calc R . .
C66 C 1.0939(13) -0.7539(7) 0.1165(5) 0.080(4) Uani 1 1 d . . .
H66 H 1.1393 -0.7968 0.1308 0.096 Uiso 1 1 calc R . .
C67 C 1.0161(13) -0.7008(7) 0.1391(4) 0.081(4) Uani 1 1 d . . .
H67 H 1.0113 -0.7033 0.1703 0.097 Uiso 1 1 calc R . .
C68 C 0.9378(8) -0.6392(6) 0.1181(3) 0.050(2) Uani 1 1 d . . .
H68 H 0.8805 -0.6023 0.1348 0.060 Uiso 1 1 calc R . .
C69 C 1.0365(6) -0.4423(4) 0.0527(2) 0.0253(13) Uani 1 1 d . . .
C70 C 1.0571(6) -0.4050(4) 0.0843(2) 0.0280(14) Uani 1 1 d . . .
C71 C 1.0836(6) -0.3602(4) 0.1205(2) 0.0272(14) Uani 1 1 d . . .
C72 C 0.9931(6) -0.3198(4) 0.1499(2) 0.0280(14) Uani 1 1 d . . .
H72 H 0.9090 -0.3216 0.1464 0.034 Uiso 1 1 calc R . .
C73 C 1.0268(6) -0.2779(4) 0.1836(2) 0.0291(14) Uani 1 1 d . . .
H73 H 0.9639 -0.2505 0.2030 0.035 Uiso 1 1 calc R . .
N3 N 1.1437(5) -0.2731(3) 0.19100(18) 0.0265(12) Uani 1 1 d . . .
C74 C 1.2296(6) -0.3110(4) 0.1626(2) 0.0342(16) Uani 1 1 d . . .
H74 H 1.3128 -0.3073 0.1667 0.041 Uiso 1 1 calc R . .
C75 C 1.2056(6) -0.3543(4) 0.1283(2) 0.0345(16) Uani 1 1 d . . .
H75 H 1.2710 -0.3808 0.1096 0.041 Uiso 1 1 calc R . .
Pt3 Pt 1.5000 0.0000 0.5000 0.02507(9) Uani 1 2 d S . .
P4 P 1.63769(17) 0.03874(12) 0.44736(6) 0.0314(4) Uani 1 1 d . . .
C76 C 1.7587(7) -0.0389(6) 0.4289(2) 0.045(2) Uani 1 1 d . . .
C77 C 1.7387(9) -0.1168(7) 0.4284(4) 0.080(4) Uani 1 1 d . . .
H77 H 1.6619 -0.1294 0.4394 0.097 Uiso 1 1 calc R . .
C78 C 1.8267(11) -0.1745(8) 0.4124(5) 0.109(6) Uani 1 1 d . . .
H78 H 1.8093 -0.2267 0.4116 0.130 Uiso 1 1 calc R . .
C79 C 1.9387(12) -0.1605(11) 0.3976(4) 0.102(6) Uani 1 1 d . . .
H79 H 2.0000 -0.2024 0.3873 0.122 Uiso 1 1 calc R . .
C80 C 1.9619(11) -0.0871(11) 0.3978(4) 0.095(5) Uani 1 1 d . . .
H80 H 2.0403 -0.0769 0.3868 0.114 Uiso 1 1 calc R . .
C81 C 1.8722(8) -0.0231(7) 0.4139(3) 0.070(3) Uani 1 1 d . . .
H81 H 1.8904 0.0290 0.4142 0.084 Uiso 1 1 calc R . .
C82 C 1.7165(5) 0.1180(4) 0.46390(18) 0.054(3) Uani 1 1 d G . .
C83 C 1.8101(6) 0.1021(4) 0.4922(2) 0.077(4) Uani 1 1 d G . .
H83 H 1.8350 0.0499 0.5018 0.092 Uiso 1 1 calc R . .
C84 C 1.8673(7) 0.1627(6) 0.5066(2) 0.114(6) Uani 1 1 d G . .
H84 H 1.9314 0.1519 0.5260 0.137 Uiso 1 1 calc R . .
C85 C 1.8309(8) 0.2392(5) 0.4926(3) 0.114(6) Uani 1 1 d G . .
H85 H 1.8700 0.2806 0.5025 0.137 Uiso 1 1 calc R . .
C86 C 1.7372(8) 0.2551(3) 0.4643(3) 0.094(4) Uani 1 1 d G . .
H86 H 1.7123 0.3073 0.4548 0.113 Uiso 1 1 calc R . .
C87 C 1.6800(6) 0.1945(4) 0.4500(2) 0.062(3) Uani 1 1 d G . .
H87 H 1.6160 0.2053 0.4306 0.074 Uiso 1 1 calc R . .
C88 C 1.5661(7) 0.0746(4) 0.3977(2) 0.0335(16) Uani 1 1 d . . .
C89 C 1.4468(7) 0.1150(5) 0.4007(3) 0.0411(18) Uani 1 1 d . . .
H89 H 1.4023 0.1225 0.4285 0.049 Uiso 1 1 calc R . .
C90 C 1.3923(8) 0.1445(5) 0.3629(3) 0.050(2) Uani 1 1 d . . .
H90 H 1.3109 0.1722 0.3651 0.060 Uiso 1 1 calc R . .
C91 C 1.4549(9) 0.1340(6) 0.3230(3) 0.053(2) Uani 1 1 d . . .
H91 H 1.4173 0.1548 0.2976 0.063 Uiso 1 1 calc R . .
C92 C 1.5734(9) 0.0930(6) 0.3191(3) 0.057(2) Uani 1 1 d . . .
H92 H 1.6161 0.0837 0.2911 0.068 Uiso 1 1 calc R . .
C93 C 1.6276(8) 0.0662(6) 0.3567(2) 0.049(2) Uani 1 1 d . . .
H93 H 1.7104 0.0410 0.3543 0.059 Uiso 1 1 calc R . .
C94 C 1.4295(7) -0.0539(4) 0.4521(2) 0.0295(15) Uani 1 1 d . . .
C95 C 1.3928(6) -0.0852(4) 0.4220(2) 0.0300(14) Uani 1 1 d . . .
C96 C 1.3493(6) -0.1179(4) 0.3842(2) 0.0288(14) Uani 1 1 d . . .
C97 C 1.3048(7) -0.1897(4) 0.3851(2) 0.0353(17) Uani 1 1 d . . .
H97 H 1.3035 -0.2196 0.4113 0.042 Uiso 1 1 calc R . .
C98 C 1.2621(6) -0.2169(4) 0.3466(2) 0.0275(14) Uani 1 1 d . . .
H98 H 1.2314 -0.2655 0.3475 0.033 Uiso 1 1 calc R . .
N4 N 1.2627(5) -0.1776(3) 0.30873(17) 0.0241(11) Uani 1 1 d . . .
C99 C 1.3046(8) -0.1088(4) 0.3088(2) 0.0352(17) Uani 1 1 d . . .
H99 H 1.3047 -0.0801 0.2822 0.042 Uiso 1 1 calc R . .
C100 C 1.3476(7) -0.0766(4) 0.3446(2) 0.0321(16) Uani 1 1 d . . .
H100 H 1.3757 -0.0272 0.3425 0.039 Uiso 1 1 calc R . .
C101 C 0.750(2) 0.7998(10) 0.2646(6) 0.22(3) Uani 0.50 1 d PD B 2
H101 H 0.8316 0.7893 0.2774 0.261 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.7148(4) 0.7211(3) 0.2384(3) 0.084(2) Uani 0.50 1 d PD B 2
Cl4 Cl 0.7411(7) 0.8743(5) 0.2247(4) 0.147(4) Uani 0.50 1 d PD B 2
Cl5 Cl 0.6368(9) 0.8351(7) 0.3011(2) 0.177(6) Uani 0.50 1 d PD B 2
C102 C 0.886(3) 0.8619(13) 0.0540(7) 0.052(6) Uani 0.10 1 d PD . .
H102 H 0.9716 0.8622 0.0418 0.067 Uiso 0.10 1 calc PR . .
Cl6 Cl 0.845(2) 0.8913(9) 0.1081(5) 0.052(6) Uani 0.10 1 d PD . .
Cl7 Cl 0.8263(15) 0.7744(5) 0.0556(3) 0.052(6) Uani 0.10 1 d PD . .
Cl8 Cl 0.764(2) 0.9153(7) 0.0275(8) 0.052(6) Uani 0.10 1 d PD . .
C103 C 0.3263(17) 0.9332(12) 0.1110(7) 0.124(9) Uani 0.20 1 d PD . .
H103 H 0.3375 0.9269 0.1431 0.161 Uiso 0.20 1 calc PR . .
Cl9 Cl 0.2892(16) 0.8535(6) 0.0848(3) 0.124(9) Uani 0.20 1 d PD . .
Cl10 Cl 0.4442(12) 0.9617(12) 0.0805(8) 0.124(9) Uani 0.20 1 d PD . .
Cl11 Cl 0.2125(16) 1.0068(8) 0.0970(4) 0.124(9) Uani 0.20 1 d PD . .
C104 C 0.033(3) 0.613(2) 0.3736(11) 0.027(7) Uani 0.20 1 d P . .
H104 H 0.0112 0.6510 0.3496 0.033 Uiso 0.20 1 calc PR . .
Cl12 Cl 0.1914(15) 0.5460(10) 0.3714(5) 0.103(6) Uani 0.20 1 d PD . .
Cl13 Cl -0.048(2) 0.5411(16) 0.3855(6) 0.184(15) Uani 0.20 1 d PD . .
Cl14 Cl 0.054(2) 0.6448(8) 0.4251(5) 0.129(9) Uani 0.20 1 d PD . .
O1 O 0.6284(17) 0.731(2) 0.3356(5) 0.173(13) Uani 0.50 1 d PD B 1
O2 O 0.6237(14) 0.7206(8) 0.4964(6) 0.077(5) Uani 0.50 1 d P . .
O3 O 0.1690(10) 0.3499(7) 0.3701(5) 0.175(7) Uani 1 1 d . . .
O4 O 0.5908(14) 0.7091(8) 0.4048(5) 0.069(4) Uani 0.50 1 d PD B 2
O5 O 0.5542(13) 0.3697(8) 0.5355(5) 0.071(4) Uani 0.50 1 d 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
Co1 N2 2.141(5) . ?
Co1 N4 2.153(5) . ?
Co1 N1 2.169(5) 1_645 ?
Co1 N3 2.178(5) . ?
Co1 Cl2 2.462(2) . ?
Co1 Cl1 2.468(2) . ?
Pt1 C44 1.986(6) . ?
Pt1 C37 1.994(7) . ?
Pt1 P1 2.3059(18) . ?
Pt1 P2 2.3078(18) . ?
P1 C13 1.808(8) . ?
P1 C7 1.815(7) . ?
P1 C1 1.826(8) . ?
C1 C6 1.347(12) . ?
C1 C2 1.363(12) . ?
C2 C3 1.409(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.38(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.37(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.413(16) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.351(11) . ?
C7 C12 1.410(11) . ?
C8 C9 1.407(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.395(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.298(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(12) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.363(12) . ?
C13 C14 1.429(12) . ?
C14 C15 1.413(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.381(17) . ?
C15 H15 0.9500 . ?
C16 C17 1.335(15) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(13) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P2 C31 1.811(9) . ?
P2 C19 1.815(7) . ?
P2 C25 1.830(7) . ?
C19 C20 1.386(11) . ?
C19 C24 1.400(11) . ?
C20 C21 1.364(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.349(15) . ?
C21 H21 0.9500 . ?
C22 C23 1.434(14) . ?
C22 H22 0.9500 . ?
C23 C24 1.426(11) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.374(10) . ?
C25 C30 1.387(11) . ?
C26 C27 1.393(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.359(12) . ?
C27 H27 0.9500 . ?
C28 C29 1.365(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.385(11) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.395(12) . ?
C31 C32 1.405(12) . ?
C32 C33 1.389(16) . ?
C32 H32 0.9500 . ?
C33 C34 1.365(19) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(17) . ?
C34 H34 0.9500 . ?
C35 C36 1.404(13) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.197(9) . ?
C38 C39 1.407(9) . ?
C39 C43 1.411(9) . ?
C39 C40 1.412(10) . ?
C40 C41 1.356(9) . ?
C40 H40 0.9500 . ?
C41 N1 1.342(8) . ?
C41 H41 0.9500 . ?
N1 C42 1.326(8) . ?
N1 Co1 2.169(5) 1_465 ?
C42 C43 1.367(9) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.192(9) . ?
C45 C46 1.451(9) . ?
C46 C47 1.374(9) . ?
C46 C50 1.401(10) . ?
C47 C48 1.396(9) . ?
C47 H47 0.9500 . ?
C48 N2 1.332(8) . ?
C48 H48 0.9500 . ?
N2 C49 1.321(8) . ?
C49 C50 1.393(10) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
Pt2 C69 1.993(6) . ?
Pt2 C69 1.993(6) 2_745 ?
Pt2 P3 2.2981(16) . ?
Pt2 P3 2.2981(16) 2_745 ?
P3 C51 1.813(7) . ?
P3 C57 1.820(7) . ?
P3 C63 1.827(8) . ?
C51 C56 1.391(11) . ?
C51 C52 1.398(10) . ?
C52 C53 1.387(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.372(15) . ?
C53 H53 0.9500 . ?
C54 C55 1.363(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.409(11) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C58 1.350(11) . ?
C57 C62 1.397(10) . ?
C58 C59 1.426(12) . ?
C58 H58 0.9500 . ?
C59 C60 1.365(16) . ?
C59 H59 0.9500 . ?
C60 C61 1.417(15) . ?
C60 H60 0.9500 . ?
C61 C62 1.364(11) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.345(13) . ?
C63 C68 1.359(11) . ?
C64 C65 1.423(14) . ?
C64 H64 0.9500 . ?
C65 C66 1.333(19) . ?
C65 H65 0.9500 . ?
C66 C67 1.317(18) . ?
C66 H66 0.9500 . ?
C67 C68 1.441(14) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.216(8) . ?
C70 C71 1.422(8) . ?
C71 C72 1.399(9) . ?
C71 C75 1.408(9) . ?
C72 C73 1.367(8) . ?
C72 H72 0.9500 . ?
C73 N3 1.344(8) . ?
C73 H73 0.9500 . ?
N3 C74 1.334(8) . ?
C74 C75 1.354(9) . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
Pt3 C94 2.003(6) 2_856 ?
Pt3 C94 2.003(6) . ?
Pt3 P4 2.3063(18) . ?
Pt3 P4 2.3063(18) 2_856 ?
P4 C76 1.802(8) . ?
P4 C88 1.820(7) . ?
P4 C82 1.822(5) . ?
C76 C81 1.374(12) . ?
C76 C77 1.395(14) . ?
C77 C78 1.346(14) . ?
C77 H77 0.9500 . ?
C78 C79 1.35(2) . ?
C78 H78 0.9500 . ?
C79 C80 1.33(2) . ?
C79 H79 0.9500 . ?
C80 C81 1.429(17) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 C83 1.3900 . ?
C82 C87 1.3900 . ?
C83 C84 1.3900 . ?
C83 H83 0.9500 . ?
C84 C85 1.3900 . ?
C84 H84 0.9500 . ?
C85 C86 1.3900 . ?
C85 H85 0.9500 . ?
C86 C87 1.3900 . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C93 1.381(10) . ?
C88 C89 1.392(11) . ?
C89 C90 1.397(12) . ?
C89 H89 0.9500 . ?
C90 C91 1.356(13) . ?
C90 H90 0.9500 . ?
C91 C92 1.387(13) . ?
C91 H91 0.9500 . ?
C92 C93 1.375(11) . ?
C92 H92 0.9500 . ?
C93 H93 0.9500 . ?
C94 C95 1.194(9) . ?
C95 C96 1.432(9) . ?
C96 C100 1.399(9) . ?
C96 C97 1.400(9) . ?
C97 C98 1.406(9) . ?
C97 H97 0.9500 . ?
C98 N4 1.336(8) . ?
C98 H98 0.9500 . ?
N4 C99 1.339(8) . ?
C99 C100 1.373(9) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 Cl5 1.662(16) . ?
C101 Cl3 1.686(19) . ?
C101 Cl4 1.760(17) . ?
C101 H101 1.0000 . ?
Cl5 O1 2.08(3) . ?
C102 Cl7 1.74(2) . ?
C102 Cl6 1.736(19) . ?
C102 Cl8 1.75(2) . ?
C102 H102 1.0000 . ?
C103 Cl10 1.684(18) . ?
C103 Cl9 1.710(18) . ?
C103 Cl11 1.717(19) . ?
C103 H103 1.0000 . ?
C104 Cl13 1.66(4) . ?
C104 Cl14 1.71(3) . ?
C104 Cl12 1.94(4) . ?
C104 H104 1.0000 . ?

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
N2 Co1 N4 91.5(2) . . ?
N2 Co1 N1 175.6(2) . 1_645 ?
N4 Co1 N1 91.16(19) . 1_645 ?
N2 Co1 N3 91.2(2) . . ?
N4 Co1 N3 176.7(2) . . ?
N1 Co1 N3 86.2(2) 1_645 . ?
N2 Co1 Cl2 91.27(17) . . ?
N4 Co1 Cl2 89.20(16) . . ?
N1 Co1 Cl2 92.28(15) 1_645 . ?
N3 Co1 Cl2 88.93(16) . . ?
N2 Co1 Cl1 88.46(17) . . ?
N4 Co1 Cl1 90.12(16) . . ?
N1 Co1 Cl1 88.02(15) 1_645 . ?
N3 Co1 Cl1 91.76(16) . . ?
Cl2 Co1 Cl1 179.26(7) . . ?
C44 Pt1 C37 175.3(3) . . ?
C44 Pt1 P1 92.5(2) . . ?
C37 Pt1 P1 83.0(2) . . ?
C44 Pt1 P2 90.7(2) . . ?
C37 Pt1 P2 93.9(2) . . ?
P1 Pt1 P2 176.44(6) . . ?
C13 P1 C7 105.0(3) . . ?
C13 P1 C1 103.9(4) . . ?
C7 P1 C1 105.2(4) . . ?
C13 P1 Pt1 117.2(3) . . ?
C7 P1 Pt1 112.3(3) . . ?
C1 P1 Pt1 112.3(3) . . ?
C6 C1 C2 120.2(9) . . ?
C6 C1 P1 122.2(7) . . ?
C2 C1 P1 117.6(7) . . ?
C1 C2 C3 120.4(10) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 118.8(11) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C5 C4 C3 120.9(12) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 118.6(14) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C5 121.0(12) . . ?
C1 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C8 C7 C12 118.3(7) . . ?
C8 C7 P1 121.6(6) . . ?
C12 C7 P1 119.9(6) . . ?
C7 C8 C9 122.0(8) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
C10 C9 C8 116.9(8) . . ?
C10 C9 H9 121.5 . . ?
C8 C9 H9 121.5 . . ?
C11 C10 C9 122.2(8) . . ?
C11 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C10 C11 C12 121.3(9) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C7 119.1(8) . . ?
C11 C12 H12 120.5 . . ?
C7 C12 H12 120.5 . . ?
C18 C13 C14 118.4(8) . . ?
C18 C13 P1 121.5(7) . . ?
C14 C13 P1 120.1(7) . . ?
C15 C14 C13 119.1(10) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C16 C15 C14 119.2(11) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C17 C16 C15 120.6(10) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 121.7(10) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C13 C18 C17 120.8(9) . . ?
C13 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C31 P2 C19 104.0(4) . . ?
C31 P2 C25 101.5(4) . . ?
C19 P2 C25 104.2(3) . . ?
C31 P2 Pt1 114.7(3) . . ?
C19 P2 Pt1 117.2(2) . . ?
C25 P2 Pt1 113.5(2) . . ?
C20 C19 C24 118.2(7) . . ?
C20 C19 P2 122.7(6) . . ?
C24 C19 P2 119.1(6) . . ?
C21 C20 C19 122.3(9) . . ?
C21 C20 H20 118.8 . . ?
C19 C20 H20 118.8 . . ?
C22 C21 C20 120.8(10) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 120.8(8) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C24 C23 C22 117.1(8) . . ?
C24 C23 H23 121.4 . . ?
C22 C23 H23 121.4 . . ?
C19 C24 C23 120.7(8) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C30 118.5(7) . . ?
C26 C25 P2 118.3(6) . . ?
C30 C25 P2 123.1(5) . . ?
C25 C26 C27 121.1(7) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 119.5(7) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.3(8) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C28 C29 C30 120.5(8) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 120.0(7) . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
C36 C31 C32 118.7(9) . . ?
C36 C31 P2 120.2(7) . . ?
C32 C31 P2 121.2(7) . . ?
C33 C32 C31 120.2(11) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C34 C33 C32 120.9(12) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C34 C35 119.9(11) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 120.4(11) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 119.8(10) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C38 C37 Pt1 172.0(7) . . ?
C37 C38 C39 177.2(8) . . ?
C38 C39 C43 123.2(6) . . ?
C38 C39 C40 121.6(6) . . ?
C43 C39 C40 115.1(6) . . ?
C41 C40 C39 120.2(6) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
N1 C41 C40 123.7(7) . . ?
N1 C41 H41 118.1 . . ?
C40 C41 H41 118.1 . . ?
C42 N1 C41 117.1(5) . . ?
C42 N1 Co1 123.7(4) . 1_465 ?
C41 N1 Co1 117.7(4) . 1_465 ?
N1 C42 C43 123.7(6) . . ?
N1 C42 H42 118.2 . . ?
C43 C42 H42 118.2 . . ?
C42 C43 C39 120.1(6) . . ?
C42 C43 H43 119.9 . . ?
C39 C43 H43 119.9 . . ?
C45 C44 Pt1 176.8(7) . . ?
C44 C45 C46 174.9(8) . . ?
C47 C46 C50 117.9(6) . . ?
C47 C46 C45 122.8(6) . . ?
C50 C46 C45 119.2(6) . . ?
C46 C47 C48 119.7(6) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
N2 C48 C47 123.1(6) . . ?
N2 C48 H48 118.4 . . ?
C47 C48 H48 118.5 . . ?
C49 N2 C48 116.6(5) . . ?
C49 N2 Co1 120.5(4) . . ?
C48 N2 Co1 122.9(4) . . ?
N2 C49 C50 125.2(7) . . ?
N2 C49 H49 117.4 . . ?
C50 C49 H49 117.4 . . ?
C49 C50 C46 117.4(6) . . ?
C49 C50 H50 121.3 . . ?
C46 C50 H50 121.3 . . ?
C69 Pt2 C69 180.0(2) . 2_745 ?
C69 Pt2 P3 89.41(19) . . ?
C69 Pt2 P3 90.59(19) 2_745 . ?
C69 Pt2 P3 90.59(19) . 2_745 ?
C69 Pt2 P3 89.41(19) 2_745 2_745 ?
P3 Pt2 P3 180.00(7) . 2_745 ?
C51 P3 C57 100.6(3) . . ?
C51 P3 C63 107.8(4) . . ?
C57 P3 C63 105.4(3) . . ?
C51 P3 Pt2 119.6(3) . . ?
C57 P3 Pt2 116.2(2) . . ?
C63 P3 Pt2 106.3(2) . . ?
C56 C51 C52 119.1(7) . . ?
C56 C51 P3 121.3(5) . . ?
C52 C51 P3 119.4(6) . . ?
C53 C52 C51 119.9(9) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C54 C53 C52 121.0(9) . . ?
C54 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C55 C54 C53 119.7(9) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 121.0(9) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 H55 119.5 . . ?
C51 C56 C55 119.3(8) . . ?
C51 C56 H56 120.4 . . ?
C55 C56 H56 120.4 . . ?
C58 C57 C62 118.2(7) . . ?
C58 C57 P3 124.5(6) . . ?
C62 C57 P3 117.2(6) . . ?
C57 C58 C59 123.2(9) . . ?
C57 C58 H58 118.4 . . ?
C59 C58 H58 118.4 . . ?
C60 C59 C58 117.0(10) . . ?
C60 C59 H59 121.5 . . ?
C58 C59 H59 121.5 . . ?
C59 C60 C61 120.8(9) . . ?
C59 C60 H60 119.6 . . ?
C61 C60 H60 119.6 . . ?
C62 C61 C60 119.7(9) . . ?
C62 C61 H61 120.1 . . ?
C60 C61 H61 120.1 . . ?
C61 C62 C57 121.0(9) . . ?
C61 C62 H62 119.5 . . ?
C57 C62 H62 119.5 . . ?
C64 C63 C68 120.1(8) . . ?
C64 C63 P3 117.0(6) . . ?
C68 C63 P3 122.6(7) . . ?
C63 C64 C65 119.1(11) . . ?
C63 C64 H64 120.5 . . ?
C65 C64 H64 120.5 . . ?
C66 C65 C64 121.9(14) . . ?
C66 C65 H65 119.1 . . ?
C64 C65 H65 119.1 . . ?
C67 C66 C65 118.5(11) . . ?
C67 C66 H66 120.8 . . ?
C65 C66 H66 120.8 . . ?
C66 C67 C68 122.1(11) . . ?
C66 C67 H67 119.0 . . ?
C68 C67 H67 119.0 . . ?
C63 C68 C67 118.1(10) . . ?
C63 C68 H68 121.0 . . ?
C67 C68 H68 121.0 . . ?
C70 C69 Pt2 178.0(6) . . ?
C69 C70 C71 178.3(7) . . ?
C72 C71 C75 116.2(6) . . ?
C72 C71 C70 123.3(6) . . ?
C75 C71 C70 120.5(6) . . ?
C73 C72 C71 119.4(6) . . ?
C73 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
N3 C73 C72 123.9(6) . . ?
N3 C73 H73 118.0 . . ?
C72 C73 H73 118.1 . . ?
C74 N3 C73 116.5(5) . . ?
C74 N3 Co1 119.3(4) . . ?
C73 N3 Co1 123.6(4) . . ?
N3 C74 C75 124.0(6) . . ?
N3 C74 H74 118.0 . . ?
C75 C74 H74 118.0 . . ?
C74 C75 C71 119.9(6) . . ?
C74 C75 H75 120.0 . . ?
C71 C75 H75 120.0 . . ?
C94 Pt3 C94 179.997(2) 2_856 . ?
C94 Pt3 P4 92.16(19) 2_856 . ?
C94 Pt3 P4 87.84(19) . . ?
C94 Pt3 P4 87.84(19) 2_856 2_856 ?
C94 Pt3 P4 92.16(19) . 2_856 ?
P4 Pt3 P4 179.998(1) . 2_856 ?
C76 P4 C88 104.9(3) . . ?
C76 P4 C82 104.7(4) . . ?
C88 P4 C82 104.4(3) . . ?
C76 P4 Pt3 113.9(3) . . ?
C88 P4 Pt3 112.7(2) . . ?
C82 P4 Pt3 115.2(2) . . ?
C81 C76 C77 118.0(9) . . ?
C81 C76 P4 121.2(8) . . ?
C77 C76 P4 120.7(7) . . ?
C78 C77 C76 121.0(12) . . ?
C78 C77 H77 119.5 . . ?
C76 C77 H77 119.5 . . ?
C77 C78 C79 122.1(14) . . ?
C77 C78 H78 118.9 . . ?
C79 C78 H78 118.9 . . ?
C80 C79 C78 118.8(12) . . ?
C80 C79 H79 120.6 . . ?
C78 C79 H79 120.6 . . ?
C79 C80 C81 121.8(13) . . ?
C79 C80 H80 119.1 . . ?
C81 C80 H80 119.1 . . ?
C76 C81 C80 118.2(13) . . ?
C76 C81 H81 120.9 . . ?
C80 C81 H81 120.9 . . ?
C83 C82 C87 120.0 . . ?
C83 C82 P4 119.4(4) . . ?
C87 C82 P4 120.5(4) . . ?
C84 C83 C82 120.0 . . ?
C84 C83 H83 120.0 . . ?
C82 C83 H83 120.0 . . ?
C83 C84 C85 120.0 . . ?
C83 C84 H84 120.0 . . ?
C85 C84 H84 120.0 . . ?
C84 C85 C86 120.0 . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C87 C86 C85 120.0 . . ?
C87 C86 H86 120.0 . . ?
C85 C86 H86 120.0 . . ?
C86 C87 C82 120.0 . . ?
C86 C87 H87 120.0 . . ?
C82 C87 H87 120.0 . . ?
C93 C88 C89 117.8(7) . . ?
C93 C88 P4 122.4(6) . . ?
C89 C88 P4 119.7(6) . . ?
C88 C89 C90 120.0(8) . . ?
C88 C89 H89 120.0 . . ?
C90 C89 H89 120.0 . . ?
C91 C90 C89 120.4(8) . . ?
C91 C90 H90 119.8 . . ?
C89 C90 H90 119.8 . . ?
C90 C91 C92 120.7(8) . . ?
C90 C91 H91 119.7 . . ?
C92 C91 H91 119.7 . . ?
C93 C92 C91 118.5(9) . . ?
C93 C92 H92 120.7 . . ?
C91 C92 H92 120.7 . . ?
C92 C93 C88 122.5(8) . . ?
C92 C93 H93 118.8 . . ?
C88 C93 H93 118.8 . . ?
C95 C94 Pt3 176.4(6) . . ?
C94 C95 C96 176.0(8) . . ?
C100 C96 C97 117.6(6) . . ?
C100 C96 C95 119.7(6) . . ?
C97 C96 C95 122.7(6) . . ?
C96 C97 C98 119.0(6) . . ?
C96 C97 H97 120.5 . . ?
C98 C97 H97 120.5 . . ?
N4 C98 C97 123.0(6) . . ?
N4 C98 H98 118.5 . . ?
C97 C98 H98 118.5 . . ?
C98 N4 C99 116.9(5) . . ?
C98 N4 Co1 121.3(4) . . ?
C99 N4 Co1 121.9(4) . . ?
N4 C99 C100 124.9(6) . . ?
N4 C99 H99 117.5 . . ?
C100 C99 H99 117.5 . . ?
C99 C100 C96 118.6(6) . . ?
C99 C100 H100 120.7 . . ?
C96 C100 H100 120.7 . . ?
Cl5 C101 Cl3 110.3(13) . . ?
Cl5 C101 Cl4 102.1(11) . . ?
Cl3 C101 Cl4 104.5(12) . . ?
Cl5 C101 H101 113.0 . . ?
Cl3 C101 H101 113.0 . . ?
Cl4 C101 H101 113.0 . . ?
C101 Cl5 O1 97.2(10) . . ?
Cl7 C102 Cl6 98.0(13) . . ?
Cl7 C102 Cl8 95.4(12) . . ?
Cl6 C102 Cl8 100.4(15) . . ?
Cl7 C102 H102 119.4 . . ?
Cl6 C102 H102 119.4 . . ?
Cl8 C102 H102 119.4 . . ?
Cl10 C103 Cl9 106.5(13) . . ?
Cl10 C103 Cl11 98.6(13) . . ?
Cl9 C103 Cl11 102.1(12) . . ?
Cl10 C103 H103 115.8 . . ?
Cl9 C103 H103 115.8 . . ?
Cl11 C103 H103 115.8 . . ?
Cl13 C104 Cl14 100.9(19) . . ?
Cl13 C104 Cl12 95.3(19) . . ?
Cl14 C104 Cl12 91.0(16) . . ?
Cl13 C104 H104 121.0 . . ?
Cl14 C104 H104 121.0 . . ?
Cl12 C104 H104 121.0 . . ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        30.33
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         1.647
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.253

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 0.500 392 154 ' '
2 0.259 0.310 0.272 37 4 ' '
3 0.406 0.186 0.017 39 15 ' '
4 0.403 0.170 0.858 16 7 ' '
5 0.446 0.613 0.361 15 3 ' '
6 0.593 0.814 -0.017 39 14 ' '
7 0.554 0.387 0.638 15 3 ' '
8 0.597 0.830 0.142 16 8 ' '
9 0.741 0.690 0.728 37 4 ' '
_platon_squeeze_details          
; 
;

####################################################################### 
# 
# 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_e2914a
_database_code_depnum_ccdc_archive 'CCDC 1403453'
_audit_update_record             
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C100 H76 Br2 Cd N4 P4 Pt2),4(C H Cl3),7(H2O)'
_chemical_formula_sum            'C204 H170 Br4 Cd2 Cl12 N8 O7 P8 Pt4'
_chemical_formula_weight         4843.44

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.6603(4)
_cell_length_b                   19.2398(4)
_cell_length_c                   19.5076(4)
_cell_angle_alpha                113.2070(10)
_cell_angle_beta                 99.7830(10)
_cell_angle_gamma                101.2470(10)
_cell_volume                     5746.7(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9144
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      28.80

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2378
_exptl_absorpt_coefficient_mu    3.547
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7408
_exptl_absorpt_correction_T_max  0.7894
_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            30582
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.95
_diffrn_reflns_theta_max         29.08
_reflns_number_total             30582
_reflns_number_gt                23687
_reflns_threshold_expression     >2sigma(I)

_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          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0777P)²+28.0259P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         30582
_refine_ls_number_parameters     1174
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1566
_refine_ls_wR_factor_gt          0.1478
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.74146(2) 0.76540(2) 0.249041(19) 0.02108(9) Uani 1 1 d . . .
Br1 Br 0.90178(4) 0.84359(4) 0.29044(4) 0.03515(15) Uani 1 1 d . . .
Br2 Br 0.57906(4) 0.69570(5) 0.20300(5) 0.04433(17) Uani 1 1 d . . .
Pt1 Pt 0.746321(12) 0.755625(13) -0.254163(10) 0.02058(6) Uani 1 1 d . . .
P1 P 0.88261(8) 0.77996(9) -0.20833(8) 0.0229(3) Uani 1 1 d . . .
C1 C 0.9236(3) 0.8162(4) -0.1045(3) 0.0269(12) Uani 1 1 d . . .
C2 C 0.9601(5) 0.7747(5) -0.0713(4) 0.0465(18) Uani 1 1 d . . .
H2 H 0.9619 0.7231 -0.1029 0.056 Uiso 1 1 calc R . .
C3 C 0.9939(6) 0.8094(7) 0.0081(5) 0.065(3) Uani 1 1 d . . .
H3 H 1.0201 0.7815 0.0305 0.078 Uiso 1 1 calc R . .
C4 C 0.9905(5) 0.8827(6) 0.0550(4) 0.054(2) Uani 1 1 d . . .
H4 H 1.0138 0.9053 0.1094 0.065 Uiso 1 1 calc R . .
C5 C 0.9533(4) 0.9233(5) 0.0233(4) 0.0449(18) Uani 1 1 d . . .
H5 H 0.9504 0.9742 0.0556 0.054 Uiso 1 1 calc R . .
C6 C 0.9195(4) 0.8897(4) -0.0568(3) 0.0346(14) Uani 1 1 d . . .
H6 H 0.8933 0.9180 -0.0786 0.042 Uiso 1 1 calc R . .
C7 C 0.9005(4) 0.6839(4) -0.2530(3) 0.0345(14) Uani 1 1 d . . .
C8 C 0.9531(6) 0.6696(5) -0.2976(4) 0.054(2) Uani 1 1 d . . .
H8 H 0.9847 0.7110 -0.3046 0.065 Uiso 1 1 calc R . .
C9 C 0.9595(8) 0.5924(7) -0.3329(5) 0.085(4) Uani 1 1 d . . .
H9 H 0.9946 0.5822 -0.3652 0.102 Uiso 1 1 calc R . .
C10 C 0.9187(9) 0.5334(7) -0.3229(6) 0.091(4) Uani 1 1 d . . .
H10 H 0.9259 0.4824 -0.3460 0.109 Uiso 1 1 calc R . .
C11 C 0.8637(7) 0.5479(5) -0.2768(6) 0.076(3) Uani 1 1 d . . .
H11 H 0.8335 0.5062 -0.2693 0.091 Uiso 1 1 calc R . .
C12 C 0.8544(5) 0.6232(5) -0.2430(5) 0.052(2) Uani 1 1 d . . .
H12 H 0.8168 0.6329 -0.2133 0.063 Uiso 1 1 calc R . .
C13 C 0.9515(4) 0.8508(4) -0.2254(3) 0.0314(13) Uani 1 1 d . . .
C14 C 1.0355(4) 0.8639(5) -0.1984(4) 0.0466(19) Uani 1 1 d . . .
H14 H 1.0544 0.8337 -0.1745 0.056 Uiso 1 1 calc R . .
C15 C 1.0894(5) 0.9202(6) -0.2069(5) 0.062(3) Uani 1 1 d . . .
H15 H 1.1455 0.9282 -0.1896 0.075 Uiso 1 1 calc R . .
C16 C 1.0620(5) 0.9652(5) -0.2405(5) 0.061(3) Uani 1 1 d . . .
H16 H 1.0993 1.0040 -0.2462 0.074 Uiso 1 1 calc R . .
C17 C 0.9810(6) 0.9538(5) -0.2657(5) 0.055(2) Uani 1 1 d . . .
H17 H 0.9630 0.9855 -0.2881 0.066 Uiso 1 1 calc R . .
C18 C 0.9240(4) 0.8958(4) -0.2589(4) 0.0392(15) Uani 1 1 d . . .
H18 H 0.8681 0.8879 -0.2769 0.047 Uiso 1 1 calc R . .
P2 P 0.60930(9) 0.72512(9) -0.29803(8) 0.0242(3) Uani 1 1 d . . .
C19 C 0.5480(4) 0.6448(4) -0.2860(3) 0.0300(13) Uani 1 1 d . . .
C20 C 0.5835(4) 0.6020(4) -0.2552(4) 0.0371(15) Uani 1 1 d . . .
H20 H 0.6403 0.6151 -0.2381 0.045 Uiso 1 1 calc R . .
C21 C 0.5341(6) 0.5382(5) -0.2496(4) 0.054(2) Uani 1 1 d . . .
H21 H 0.5579 0.5078 -0.2290 0.065 Uiso 1 1 calc R . .
C22 C 0.4534(6) 0.5202(5) -0.2732(5) 0.062(3) Uani 1 1 d . . .
H22 H 0.4208 0.4784 -0.2674 0.074 Uiso 1 1 calc R . .
C23 C 0.4173(5) 0.5628(5) -0.3062(5) 0.059(3) Uani 1 1 d . . .
H23 H 0.3605 0.5492 -0.3241 0.071 Uiso 1 1 calc R . .
C24 C 0.4648(4) 0.6239(5) -0.3122(4) 0.0424(17) Uani 1 1 d . . .
H24 H 0.4407 0.6527 -0.3347 0.051 Uiso 1 1 calc R . .
C25 C 0.5816(4) 0.8133(4) -0.2462(3) 0.0348(14) Uani 1 1 d . . .
C26 C 0.6233(5) 0.8832(5) -0.2443(5) 0.0511(19) Uani 1 1 d . . .
H26 H 0.6654 0.8832 -0.2688 0.061 Uiso 1 1 calc R . .
C27 C 0.6045(6) 0.9544(5) -0.2064(6) 0.073(3) Uani 1 1 d . . .
H27 H 0.6324 1.0020 -0.2063 0.088 Uiso 1 1 calc R . .
C28 C 0.5447(6) 0.9529(6) -0.1699(6) 0.078(4) Uani 1 1 d . . .
H28 H 0.5302 0.9998 -0.1452 0.094 Uiso 1 1 calc R . .
C29 C 0.5051(6) 0.8843(6) -0.1684(5) 0.067(3) Uani 1 1 d . . .
H29 H 0.4658 0.8850 -0.1406 0.080 Uiso 1 1 calc R . .
C30 C 0.5228(5) 0.8148(5) -0.2072(4) 0.050(2) Uani 1 1 d . . .
H30 H 0.4943 0.7675 -0.2073 0.060 Uiso 1 1 calc R . .
C31 C 0.5653(3) 0.6949(4) -0.4007(3) 0.0296(13) Uani 1 1 d . . .
C32 C 0.5604(4) 0.6178(4) -0.4527(3) 0.0325(13) Uani 1 1 d . . .
H32 H 0.5808 0.5845 -0.4340 0.039 Uiso 1 1 calc R . .
C33 C 0.5261(4) 0.5906(5) -0.5308(4) 0.0428(17) Uani 1 1 d . . .
H33 H 0.5230 0.5385 -0.5661 0.051 Uiso 1 1 calc R . .
C34 C 0.4959(5) 0.6393(6) -0.5579(4) 0.052(2) Uani 1 1 d . . .
H34 H 0.4715 0.6203 -0.6117 0.062 Uiso 1 1 calc R . .
C35 C 0.5014(6) 0.7137(6) -0.5077(5) 0.063(3) Uani 1 1 d . . .
H35 H 0.4814 0.7470 -0.5266 0.076 Uiso 1 1 calc R . .
C36 C 0.5361(5) 0.7422(5) -0.4285(4) 0.0456(18) Uani 1 1 d . . .
H36 H 0.5394 0.7946 -0.3938 0.055 Uiso 1 1 calc R . .
C37 C 0.7330(3) 0.7549(4) -0.1548(3) 0.0245(11) Uani 1 1 d . . .
C38 C 0.7281(4) 0.7525(4) -0.0957(3) 0.0293(13) Uani 1 1 d . . .
C39 C 0.7296(4) 0.7517(4) -0.0226(3) 0.0279(12) Uani 1 1 d . . .
C40 C 0.7770(4) 0.8168(4) 0.0462(3) 0.0422(18) Uani 1 1 d . . .
H40 H 0.8078 0.8622 0.0447 0.051 Uiso 1 1 calc R . .
C41 C 0.7789(4) 0.8148(4) 0.1163(3) 0.0445(19) Uani 1 1 d . . .
H41 H 0.8112 0.8598 0.1624 0.053 Uiso 1 1 calc R . .
N1 N 0.7370(3) 0.7519(3) 0.1226(3) 0.0292(11) Uani 1 1 d . . .
C42 C 0.6905(4) 0.6908(4) 0.0574(3) 0.0290(13) Uani 1 1 d . . .
H42 H 0.6593 0.6467 0.0609 0.035 Uiso 1 1 calc R . .
C43 C 0.6849(4) 0.6878(4) -0.0157(3) 0.0310(13) Uani 1 1 d . . .
H43 H 0.6510 0.6426 -0.0606 0.037 Uiso 1 1 calc R . .
C44 C 0.7594(3) 0.7565(4) -0.3534(3) 0.0254(12) Uani 1 1 d . . .
C45 C 0.7641(4) 0.7593(4) -0.4131(3) 0.0319(13) Uani 1 1 d . . .
C46 C 0.7624(4) 0.7636(4) -0.4844(3) 0.0309(13) Uani 1 1 d . . .
C47 C 0.8182(4) 0.8203(4) -0.4914(3) 0.0403(17) Uani 1 1 d . . .
H47 H 0.8613 0.8574 -0.4478 0.048 Uiso 1 1 calc R . .
C48 C 0.8107(4) 0.8222(4) -0.5625(3) 0.0364(15) Uani 1 1 d . . .
H48 H 0.8499 0.8613 -0.5660 0.044 Uiso 1 1 calc R . .
N2 N 0.7523(3) 0.7730(3) -0.6255(3) 0.0319(12) Uani 1 1 d . . .
C49 C 0.6998(5) 0.7176(5) -0.6195(4) 0.051(2) Uani 1 1 d . . .
H49 H 0.6578 0.6811 -0.6644 0.062 Uiso 1 1 calc R . .
C50 C 0.7024(5) 0.7099(5) -0.5514(4) 0.049(2) Uani 1 1 d . . .
H50 H 0.6639 0.6685 -0.5506 0.058 Uiso 1 1 calc R . .
Pt2 Pt 0.749120(13) 0.266932(12) 0.251782(12) 0.02455(6) Uani 1 1 d . . .
P3 P 0.73168(9) 0.22616(9) 0.12045(8) 0.0241(3) Uani 1 1 d . . .
C51 C 0.7395(4) 0.1278(4) 0.0636(3) 0.0290(12) Uani 1 1 d . . .
C52 C 0.8012(4) 0.1165(4) 0.0287(4) 0.0401(15) Uani 1 1 d . . .
H52 H 0.8414 0.1611 0.0351 0.048 Uiso 1 1 calc R . .
C53 C 0.8051(6) 0.0426(5) -0.0143(5) 0.055(2) Uani 1 1 d . . .
H53 H 0.8479 0.0359 -0.0376 0.065 Uiso 1 1 calc R . .
C54 C 0.7470(5) -0.0230(5) -0.0244(4) 0.0497(19) Uani 1 1 d . . .
H54 H 0.7498 -0.0745 -0.0549 0.060 Uiso 1 1 calc R . .
C55 C 0.6853(5) -0.0139(4) 0.0096(4) 0.0486(19) Uani 1 1 d . . .
H55 H 0.6451 -0.0589 0.0024 0.058 Uiso 1 1 calc R . .
C56 C 0.6824(5) 0.0619(4) 0.0547(4) 0.0410(16) Uani 1 1 d . . .
H56 H 0.6407 0.0686 0.0796 0.049 Uiso 1 1 calc R . .
C57 C 0.8023(4) 0.2901(4) 0.0970(4) 0.0322(13) Uani 1 1 d . . .
C58 C 0.7816(6) 0.3028(8) 0.0327(6) 0.083(4) Uani 1 1 d . . .
H58 H 0.7286 0.2787 -0.0007 0.100 Uiso 1 1 calc R . .
C59 C 0.8379(8) 0.3505(9) 0.0168(8) 0.111(5) Uani 1 1 d . . .
H59 H 0.8239 0.3559 -0.0297 0.133 Uiso 1 1 calc R . .
C60 C 0.9119(7) 0.3894(7) 0.0651(8) 0.087(4) Uani 1 1 d . . .
H60 H 0.9485 0.4251 0.0551 0.104 Uiso 1 1 calc R . .
C61 C 0.9333(5) 0.3769(5) 0.1285(6) 0.064(3) Uani 1 1 d . . .
H61 H 0.9862 0.4025 0.1621 0.077 Uiso 1 1 calc R . .
C62 C 0.8787(4) 0.3270(4) 0.1447(5) 0.0436(17) Uani 1 1 d . . .
H62 H 0.8946 0.3185 0.1891 0.052 Uiso 1 1 calc R . .
C63 C 0.6323(4) 0.2247(4) 0.0725(3) 0.0312(13) Uani 1 1 d . . .
C64 C 0.5931(4) 0.2741(4) 0.1140(4) 0.0391(15) Uani 1 1 d . . .
H64 H 0.6163 0.3077 0.1678 0.047 Uiso 1 1 calc R . .
C65 C 0.5197(5) 0.2744(6) 0.0768(5) 0.059(2) Uani 1 1 d . . .
H65 H 0.4921 0.3082 0.1055 0.071 Uiso 1 1 calc R . .
C66 C 0.4859(6) 0.2274(7) -0.0002(6) 0.088(4) Uani 1 1 d . . .
H66 H 0.4345 0.2272 -0.0248 0.105 Uiso 1 1 calc R . .
C67 C 0.5266(5) 0.1802(7) -0.0423(5) 0.082(4) Uani 1 1 d . . .
H67 H 0.5044 0.1494 -0.0967 0.099 Uiso 1 1 calc R . .
C68 C 0.5981(5) 0.1771(5) -0.0073(4) 0.054(2) Uani 1 1 d . . .
H68 H 0.6249 0.1428 -0.0365 0.064 Uiso 1 1 calc R . .
P4 P 0.77077(9) 0.30653(9) 0.38377(8) 0.0247(3) Uani 1 1 d . . .
C69 C 0.8752(4) 0.3161(4) 0.4259(3) 0.0289(12) Uani 1 1 d . . .
C70 C 0.9235(4) 0.3819(5) 0.4922(4) 0.0455(18) Uani 1 1 d . . .
H70 H 0.9042 0.4259 0.5155 0.055 Uiso 1 1 calc R . .
C71 C 1.0005(5) 0.3830(6) 0.5245(5) 0.059(2) Uani 1 1 d . . .
H71 H 1.0340 0.4280 0.5700 0.070 Uiso 1 1 calc R . .
C72 C 1.0288(5) 0.3179(6) 0.4903(5) 0.058(2) Uani 1 1 d . . .
H72 H 1.0810 0.3183 0.5131 0.070 Uiso 1 1 calc R . .
C73 C 0.9811(4) 0.2537(5) 0.4237(5) 0.0450(17) Uani 1 1 d . . .
H73 H 1.0005 0.2098 0.4002 0.054 Uiso 1 1 calc R . .
C74 C 0.9047(4) 0.2529(4) 0.3907(4) 0.0355(14) Uani 1 1 d . . .
H74 H 0.8724 0.2088 0.3439 0.043 Uiso 1 1 calc R . .
C75 C 0.7151(4) 0.2367(4) 0.4116(4) 0.0309(13) Uani 1 1 d . . .
C76 C 0.6365(4) 0.1910(4) 0.3672(4) 0.0382(15) Uani 1 1 d . . .
H76 H 0.6127 0.1968 0.3230 0.046 Uiso 1 1 calc R . .
C77 C 0.5931(5) 0.1372(5) 0.3878(5) 0.052(2) Uani 1 1 d . . .
H77 H 0.5399 0.1064 0.3575 0.062 Uiso 1 1 calc R . .
C78 C 0.6264(6) 0.1287(6) 0.4506(6) 0.066(3) Uani 1 1 d . . .
H78 H 0.5964 0.0921 0.4644 0.079 Uiso 1 1 calc R . .
C79 C 0.7055(7) 0.1738(7) 0.4956(6) 0.071(3) Uani 1 1 d . . .
H79 H 0.7286 0.1675 0.5397 0.085 Uiso 1 1 calc R . .
C80 C 0.7500(5) 0.2279(5) 0.4758(5) 0.0488(19) Uani 1 1 d . . .
H80 H 0.8035 0.2581 0.5058 0.059 Uiso 1 1 calc R . .
C81 C 0.7543(4) 0.3992(4) 0.4437(3) 0.0303(13) Uani 1 1 d . . .
C82 C 0.7952(5) 0.4691(4) 0.4439(4) 0.0412(16) Uani 1 1 d . . .
H82 H 0.8298 0.4682 0.4113 0.049 Uiso 1 1 calc R . .
C83 C 0.7849(5) 0.5405(4) 0.4925(5) 0.054(2) Uani 1 1 d . . .
H83 H 0.8133 0.5883 0.4933 0.065 Uiso 1 1 calc R . .
C84 C 0.7344(5) 0.5429(5) 0.5390(6) 0.060(2) Uani 1 1 d . . .
H84 H 0.7285 0.5921 0.5721 0.072 Uiso 1 1 calc R . .
C85 C 0.6922(5) 0.4739(5) 0.5377(5) 0.060(2) Uani 1 1 d . . .
H85 H 0.6566 0.4755 0.5693 0.072 Uiso 1 1 calc R . .
C86 C 0.7017(4) 0.4013(4) 0.4896(4) 0.0429(16) Uani 1 1 d . . .
H86 H 0.6724 0.3537 0.4885 0.051 Uiso 1 1 calc R . .
C87 C 0.7668(4) 0.3760(4) 0.2600(3) 0.0295(12) Uani 1 1 d . . .
C88 C 0.7751(4) 0.4377(4) 0.2550(4) 0.0333(14) Uani 1 1 d . . .
C89 C 0.7743(4) 0.5062(4) 0.2436(4) 0.0323(13) Uani 1 1 d . . .
C90 C 0.8358(4) 0.5772(4) 0.2851(4) 0.0425(17) Uani 1 1 d . . .
H90 H 0.8814 0.5804 0.3212 0.051 Uiso 1 1 calc R . .
C91 C 0.8305(4) 0.6417(4) 0.2740(4) 0.0433(17) Uani 1 1 d . . .
H91 H 0.8741 0.6886 0.3017 0.052 Uiso 1 1 calc R . .
N3 N 0.7679(3) 0.6424(3) 0.2266(3) 0.0328(12) Uani 1 1 d . . .
C92 C 0.7094(4) 0.5743(4) 0.1853(4) 0.0341(14) Uani 1 1 d . . .
H92 H 0.6646 0.5732 0.1497 0.041 Uiso 1 1 calc R . .
C93 C 0.7109(4) 0.5064(4) 0.1917(4) 0.0359(14) Uani 1 1 d . . .
H93 H 0.6683 0.4593 0.1604 0.043 Uiso 1 1 calc R . .
C94 C 0.7311(4) 0.1588(4) 0.2415(3) 0.0274(12) Uani 1 1 d . . .
C95 C 0.7213(4) 0.0954(4) 0.2440(4) 0.0319(13) Uani 1 1 d . . .
C96 C 0.7157(4) 0.0257(3) 0.2547(3) 0.0278(12) Uani 1 1 d . . .
C97 C 0.7639(4) 0.0256(4) 0.3167(4) 0.0368(15) Uani 1 1 d . . .
H97 H 0.7998 0.0739 0.3565 0.044 Uiso 1 1 calc R . .
C98 C 0.7613(4) -0.0440(4) 0.3224(3) 0.0360(15) Uani 1 1 d . . .
H98 H 0.7968 -0.0421 0.3660 0.043 Uiso 1 1 calc R . .
N4 N 0.7113(3) -0.1140(3) 0.2695(3) 0.0313(11) Uani 1 1 d . . .
C99 C 0.6596(4) -0.1140(4) 0.2107(4) 0.0424(18) Uani 1 1 d . . .
H99 H 0.6205 -0.1623 0.1747 0.051 Uiso 1 1 calc R . .
C100 C 0.6606(4) -0.0471(4) 0.2000(4) 0.0432(18) Uani 1 1 d . . .
H100 H 0.6246 -0.0500 0.1561 0.052 Uiso 1 1 calc R . .
C101 C 0.9413(5) 0.1045(5) 0.5489(5) 0.066(3) Uani 1 1 d D . .
H101 H 0.9853 0.1039 0.5883 0.079 Uiso 1 1 calc R . .
Cl1 Cl 0.9377(2) 0.20080(19) 0.5774(2) 0.1024(11) Uani 1 1 d D . .
Cl2 Cl 0.96189(17) 0.0665(2) 0.45780(16) 0.0872(8) Uani 1 1 d D . .
Cl3 Cl 0.8503(3) 0.0431(2) 0.54358(19) 0.1186(14) Uani 1 1 d D . .
C102 C 0.1875(12) 0.8894(15) 0.2450(12) 0.289 Uani 0.50 1 d PD . .
H102 H 0.2185 0.8622 0.2685 0.346 Uiso 0.50 1 calc PR . .
Cl4 Cl 0.0906(3) 0.8670(4) 0.2445(4) 0.0955(19) Uani 0.50 1 d PD . .
Cl5 Cl 0.2214(5) 0.9921(10) 0.2990(6) 0.289 Uani 0.50 1 d PD . .
Cl6 Cl 0.1991(4) 0.8756(10) 0.1600(5) 0.244(9) Uani 0.50 1 d PD . .
C103 C 0.0974(12) 0.6476(13) 0.2204(11) 0.067(3) Uani 0.25 1 d PD . .
H103 H 0.0794 0.6880 0.2072 0.087 Uiso 0.25 1 calc PR . .
Cl7 Cl 0.0295(7) 0.6057(5) 0.2567(6) 0.067(3) Uani 0.25 1 d PD . .
Cl8 Cl 0.1080(5) 0.5729(5) 0.1385(5) 0.067(3) Uani 0.25 1 d PD . .
Cl9 Cl 0.1853(7) 0.6914(11) 0.2950(12) 0.067(3) Uani 0.25 1 d PD . .
C104 C 0.5233(11) 0.8494(12) 0.3358(12) 0.067 Uani 0.25 1 d PD . .
H104 H 0.5372 0.8057 0.2960 0.080 Uiso 0.25 1 calc PR . .
Cl10 Cl 0.5049(6) 0.9187(4) 0.3024(6) 0.073(3) Uani 0.25 1 d PD . .
Cl11 Cl 0.4355(7) 0.8143(6) 0.3548(5) 0.086(4) Uani 0.25 1 d PD . .
Cl12 Cl 0.5988(6) 0.8968(4) 0.4216(5) 0.067 Uani 0.25 1 d PD . .
O1 O 0.4975(6) 0.4662(5) 0.0510(4) 0.161(6) Uani 1 1 d . . .
O2 O 0.6574(6) 0.4532(7) 0.9809(4) 0.159(6) Uani 1 1 d . . .
O3 O 0.5932(5) 0.3693(5) 0.7630(6) 0.037(2) Uani 0.50 1 d P . .
O4 O 0.3003(6) 0.6292(8) 0.3297(6) 0.145(5) 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
Cd1 N1 2.363(4) . ?
Cd1 N2 2.365(4) 1_556 ?
Cd1 N4 2.378(5) 1_565 ?
Cd1 N3 2.386(5) . ?
Cd1 Br2 2.7396(8) . ?
Cd1 Br1 2.7451(7) . ?
Pt1 C44 1.994(5) . ?
Pt1 C37 1.997(5) . ?
Pt1 P2 2.2976(14) . ?
Pt1 P1 2.3045(14) . ?
P1 C13 1.816(6) . ?
P1 C1 1.817(5) . ?
P1 C7 1.823(7) . ?
C1 C6 1.379(9) . ?
C1 C2 1.392(9) . ?
C2 C3 1.386(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.366(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.366(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.372(10) . ?
C7 C12 1.390(11) . ?
C8 C9 1.407(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.321(17) . ?
C9 H9 0.9500 . ?
C10 C11 1.427(17) . ?
C10 H10 0.9500 . ?
C11 C12 1.392(12) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.384(10) . ?
C13 C14 1.422(10) . ?
C14 C15 1.378(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(14) . ?
C15 H15 0.9500 . ?
C16 C17 1.375(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.415(9) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
P2 C25 1.811(7) . ?
P2 C31 1.825(5) . ?
P2 C19 1.827(6) . ?
C19 C20 1.376(10) . ?
C19 C24 1.390(9) . ?
C20 C21 1.415(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.351(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.404(14) . ?
C22 H22 0.9500 . ?
C23 C24 1.363(11) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.385(10) . ?
C25 C30 1.385(9) . ?
C26 C27 1.413(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.373(15) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(16) . ?
C28 H28 0.9500 . ?
C29 C30 1.380(12) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.366(10) . ?
C31 C32 1.403(9) . ?
C32 C33 1.377(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.390(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.352(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(10) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.188(7) . ?
C38 C39 1.428(7) . ?
C39 C43 1.393(8) . ?
C39 C40 1.398(8) . ?
C40 C41 1.376(8) . ?
C40 H40 0.9500 . ?
C41 N1 1.351(8) . ?
C41 H41 0.9500 . ?
N1 C42 1.329(7) . ?
C42 C43 1.390(7) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.203(7) . ?
C45 C46 1.422(7) . ?
C46 C47 1.385(8) . ?
C46 C50 1.391(9) . ?
C47 C48 1.387(8) . ?
C47 H47 0.9500 . ?
C48 N2 1.319(8) . ?
C48 H48 0.9500 . ?
N2 C49 1.328(8) . ?
N2 Cd1 2.365(4) 1_554 ?
C49 C50 1.387(8) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
Pt2 C94 1.964(6) . ?
Pt2 C87 1.997(6) . ?
Pt2 P3 2.3082(14) . ?
Pt2 P4 2.3155(14) . ?
P3 C57 1.821(6) . ?
P3 C51 1.825(6) . ?
P3 C63 1.833(6) . ?
C51 C56 1.386(9) . ?
C51 C52 1.388(9) . ?
C52 C53 1.361(11) . ?
C52 H52 0.9500 . ?
C53 C54 1.384(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.373(11) . ?
C54 H54 0.9500 . ?
C55 C56 1.393(10) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.369(9) . ?
C57 C58 1.372(10) . ?
C58 C59 1.379(14) . ?
C58 H58 0.9500 . ?
C59 C60 1.340(17) . ?
C59 H59 0.9500 . ?
C60 C61 1.358(15) . ?
C60 H60 0.9500 . ?
C61 C62 1.390(11) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.370(9) . ?
C63 C68 1.403(9) . ?
C64 C65 1.377(10) . ?
C64 H64 0.9500 . ?
C65 C66 1.359(12) . ?
C65 H65 0.9500 . ?
C66 C67 1.372(13) . ?
C66 H66 0.9500 . ?
C67 C68 1.354(11) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
P4 C81 1.818(6) . ?
P4 C75 1.818(6) . ?
P4 C69 1.828(6) . ?
C69 C70 1.384(9) . ?
C69 C74 1.392(9) . ?
C70 C71 1.391(10) . ?
C70 H70 0.9500 . ?
C71 C72 1.401(13) . ?
C71 H71 0.9500 . ?
C72 C73 1.370(12) . ?
C72 H72 0.9500 . ?
C73 C74 1.387(10) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C80 1.388(9) . ?
C75 C76 1.401(9) . ?
C76 C77 1.393(10) . ?
C76 H76 0.9500 . ?
C77 C78 1.352(13) . ?
C77 H77 0.9500 . ?
C78 C79 1.409(14) . ?
C78 H78 0.9500 . ?
C79 C80 1.397(11) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C86 1.391(9) . ?
C81 C82 1.396(9) . ?
C82 C83 1.397(10) . ?
C82 H82 0.9500 . ?
C83 C84 1.369(13) . ?
C83 H83 0.9500 . ?
C84 C85 1.379(13) . ?
C84 H84 0.9500 . ?
C85 C86 1.404(11) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C88 1.213(8) . ?
C88 C89 1.422(9) . ?
C89 C93 1.378(9) . ?
C89 C90 1.397(9) . ?
C90 C91 1.357(9) . ?
C90 H90 0.9500 . ?
C91 N3 1.322(9) . ?
C91 H91 0.9500 . ?
N3 C92 1.338(8) . ?
C92 C93 1.366(9) . ?
C92 H92 0.9500 . ?
C93 H93 0.9500 . ?
C94 C95 1.220(9) . ?
C95 C96 1.424(8) . ?
C96 C97 1.356(9) . ?
C96 C100 1.409(9) . ?
C97 C98 1.379(9) . ?
C97 H97 0.9500 . ?
C98 N4 1.338(8) . ?
C98 H98 0.9500 . ?
N4 C99 1.339(8) . ?
N4 Cd1 2.378(5) 1_545 ?
C99 C100 1.382(9) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 Cl1 1.730(9) . ?
C101 Cl3 1.759(9) . ?
C101 Cl2 1.768(9) . ?
C101 H101 1.0000 . ?
C102 Cl6 1.628(18) . ?
C102 Cl4 1.678(17) . ?
C102 Cl5 1.75(2) . ?
C102 H102 1.0000 . ?
C103 Cl7 1.718(16) . ?
C103 Cl9 1.731(18) . ?
C103 Cl8 1.746(17) . ?
C103 H103 1.0000 . ?
C104 Cl12 1.724(18) . ?
C104 Cl11 1.729(17) . ?
C104 Cl10 1.757(17) . ?
C104 H104 1.0000 . ?

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 Cd1 N2 175.83(19) . 1_556 ?
N1 Cd1 N4 84.43(18) . 1_565 ?
N2 Cd1 N4 99.30(19) 1_556 1_565 ?
N1 Cd1 N3 95.23(18) . . ?
N2 Cd1 N3 81.08(19) 1_556 . ?
N4 Cd1 N3 178.39(17) 1_565 . ?
N1 Cd1 Br2 89.87(13) . . ?
N2 Cd1 Br2 92.18(13) 1_556 . ?
N4 Cd1 Br2 86.82(13) 1_565 . ?
N3 Cd1 Br2 91.61(13) . . ?
N1 Cd1 Br1 87.33(13) . . ?
N2 Cd1 Br1 90.85(13) 1_556 . ?
N4 Cd1 Br1 89.25(13) 1_565 . ?
N3 Cd1 Br1 92.31(13) . . ?
Br2 Cd1 Br1 175.37(3) . . ?
C44 Pt1 C37 179.8(3) . . ?
C44 Pt1 P2 91.01(17) . . ?
C37 Pt1 P2 88.88(16) . . ?
C44 Pt1 P1 91.12(17) . . ?
C37 Pt1 P1 89.00(16) . . ?
P2 Pt1 P1 176.59(5) . . ?
C13 P1 C1 100.1(3) . . ?
C13 P1 C7 108.7(3) . . ?
C1 P1 C7 105.6(3) . . ?
C13 P1 Pt1 119.4(2) . . ?
C1 P1 Pt1 117.41(19) . . ?
C7 P1 Pt1 104.8(2) . . ?
C6 C1 C2 118.8(6) . . ?
C6 C1 P1 117.4(5) . . ?
C2 C1 P1 123.7(5) . . ?
C3 C2 C1 119.4(8) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C4 C3 C2 121.4(8) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C5 C4 C3 119.7(7) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.8(7) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.8(7) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C12 120.5(7) . . ?
C8 C7 P1 123.2(6) . . ?
C12 C7 P1 116.2(6) . . ?
C7 C8 C9 118.8(9) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C10 C9 C8 122.8(10) . . ?
C10 C9 H9 118.6 . . ?
C8 C9 H9 118.6 . . ?
C9 C10 C11 118.7(9) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C12 C11 C10 119.9(10) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.1 . . ?
C7 C12 C11 119.3(9) . . ?
C7 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C18 C13 C14 119.9(6) . . ?
C18 C13 P1 121.2(5) . . ?
C14 C13 P1 118.8(6) . . ?
C15 C14 C13 120.2(9) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.0(8) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.2(7) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 121.2(8) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 H17 119.4 . . ?
C13 C18 C17 118.4(7) . . ?
C13 C18 H18 120.8 . . ?
C17 C18 H18 120.8 . . ?
C25 P2 C31 105.7(3) . . ?
C25 P2 C19 107.2(3) . . ?
C31 P2 C19 100.2(3) . . ?
C25 P2 Pt1 107.0(2) . . ?
C31 P2 Pt1 118.1(2) . . ?
C19 P2 Pt1 117.6(2) . . ?
C20 C19 C24 119.8(6) . . ?
C20 C19 P2 120.5(5) . . ?
C24 C19 P2 119.6(6) . . ?
C19 C20 C21 119.0(7) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 120.4(9) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 120.5(7) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 119.1(8) . . ?
C24 C23 H23 120.4 . . ?
C22 C23 H23 120.4 . . ?
C23 C24 C19 121.2(8) . . ?
C23 C24 H24 119.4 . . ?
C19 C24 H24 119.4 . . ?
C26 C25 C30 118.7(7) . . ?
C26 C25 P2 117.5(5) . . ?
C30 C25 P2 123.8(6) . . ?
C25 C26 C27 121.2(8) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C28 C27 C26 118.1(10) . . ?
C28 C27 H27 121.0 . . ?
C26 C27 H27 121.0 . . ?
C27 C28 C29 121.3(9) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C30 C29 C28 119.9(9) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 120.7(9) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 H30 119.6 . . ?
C36 C31 C32 119.4(5) . . ?
C36 C31 P2 123.7(5) . . ?
C32 C31 P2 117.0(5) . . ?
C33 C32 C31 119.9(6) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 119.9(7) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 119.9(6) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.8(8) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C31 C36 C35 120.0(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 Pt1 176.7(6) . . ?
C37 C38 C39 175.0(6) . . ?
C43 C39 C40 116.8(5) . . ?
C43 C39 C38 122.8(5) . . ?
C40 C39 C38 120.4(6) . . ?
C41 C40 C39 119.9(6) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
N1 C41 C40 123.1(6) . . ?
N1 C41 H41 118.5 . . ?
C40 C41 H41 118.5 . . ?
C42 N1 C41 117.2(5) . . ?
C42 N1 Cd1 125.2(4) . . ?
C41 N1 Cd1 117.2(4) . . ?
N1 C42 C43 123.5(5) . . ?
N1 C42 H42 118.3 . . ?
C43 C42 H42 118.3 . . ?
C42 C43 C39 119.6(5) . . ?
C42 C43 H43 120.2 . . ?
C39 C43 H43 120.2 . . ?
C45 C44 Pt1 176.4(6) . . ?
C44 C45 C46 174.6(7) . . ?
C47 C46 C50 116.8(5) . . ?
C47 C46 C45 123.0(6) . . ?
C50 C46 C45 120.2(6) . . ?
C46 C47 C48 119.5(6) . . ?
C46 C47 H47 120.3 . . ?
C48 C47 H47 120.3 . . ?
N2 C48 C47 123.9(6) . . ?
N2 C48 H48 118.1 . . ?
C47 C48 H48 118.1 . . ?
C48 N2 C49 116.8(5) . . ?
C48 N2 Cd1 125.9(4) . 1_554 ?
C49 N2 Cd1 116.9(4) . 1_554 ?
N2 C49 C50 123.9(6) . . ?
N2 C49 H49 118.1 . . ?
C50 C49 H49 118.1 . . ?
C49 C50 C46 119.1(6) . . ?
C49 C50 H50 120.4 . . ?
C46 C50 H50 120.4 . . ?
C94 Pt2 C87 178.9(2) . . ?
C94 Pt2 P3 93.04(17) . . ?
C87 Pt2 P3 85.83(17) . . ?
C94 Pt2 P4 86.19(17) . . ?
C87 Pt2 P4 94.94(17) . . ?
P3 Pt2 P4 177.97(5) . . ?
C57 P3 C51 103.6(3) . . ?
C57 P3 C63 104.9(3) . . ?
C51 P3 C63 104.1(3) . . ?
C57 P3 Pt2 114.0(2) . . ?
C51 P3 Pt2 117.4(2) . . ?
C63 P3 Pt2 111.6(2) . . ?
C56 C51 C52 118.6(6) . . ?
C56 C51 P3 119.5(5) . . ?
C52 C51 P3 122.0(5) . . ?
C53 C52 C51 120.9(7) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C52 C53 C54 120.3(7) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C55 C54 C53 120.2(7) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C54 C55 C56 119.2(7) . . ?
C54 C55 H55 120.4 . . ?
C56 C55 H55 120.4 . . ?
C51 C56 C55 120.7(7) . . ?
C51 C56 H56 119.6 . . ?
C55 C56 H56 119.6 . . ?
C62 C57 C58 118.4(7) . . ?
C62 C57 P3 119.3(5) . . ?
C58 C57 P3 122.3(6) . . ?
C57 C58 C59 119.9(10) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C60 C59 C58 121.9(10) . . ?
C60 C59 H59 119.1 . . ?
C58 C59 H59 119.1 . . ?
C59 C60 C61 118.7(9) . . ?
C59 C60 H60 120.7 . . ?
C61 C60 H60 120.7 . . ?
C60 C61 C62 120.7(9) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C57 C62 C61 120.3(8) . . ?
C57 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C64 C63 C68 119.6(6) . . ?
C64 C63 P3 119.7(5) . . ?
C68 C63 P3 120.6(5) . . ?
C63 C64 C65 119.2(7) . . ?
C63 C64 H64 120.4 . . ?
C65 C64 H64 120.4 . . ?
C66 C65 C64 121.2(8) . . ?
C66 C65 H65 119.4 . . ?
C64 C65 H65 119.4 . . ?
C65 C66 C67 119.5(8) . . ?
C65 C66 H66 120.3 . . ?
C67 C66 H66 120.3 . . ?
C68 C67 C66 120.8(8) . . ?
C68 C67 H67 119.6 . . ?
C66 C67 H67 119.6 . . ?
C67 C68 C63 119.6(7) . . ?
C67 C68 H68 120.2 . . ?
C63 C68 H68 120.2 . . ?
C81 P4 C75 103.1(3) . . ?
C81 P4 C69 105.1(3) . . ?
C75 P4 C69 102.8(3) . . ?
C81 P4 Pt2 119.3(2) . . ?
C75 P4 Pt2 115.9(2) . . ?
C69 P4 Pt2 109.0(2) . . ?
C70 C69 C74 119.9(6) . . ?
C70 C69 P4 122.4(5) . . ?
C74 C69 P4 117.6(5) . . ?
C69 C70 C71 119.5(7) . . ?
C69 C70 H70 120.3 . . ?
C71 C70 H70 120.3 . . ?
C70 C71 C72 120.2(8) . . ?
C70 C71 H71 119.9 . . ?
C72 C71 H71 119.9 . . ?
C73 C72 C71 119.8(7) . . ?
C73 C72 H72 120.1 . . ?
C71 C72 H72 120.1 . . ?
C72 C73 C74 120.1(8) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
C73 C74 C69 120.3(7) . . ?
C73 C74 H74 119.8 . . ?
C69 C74 H74 119.8 . . ?
C80 C75 C76 119.9(6) . . ?
C80 C75 P4 120.5(5) . . ?
C76 C75 P4 119.6(5) . . ?
C77 C76 C75 120.2(7) . . ?
C77 C76 H76 119.9 . . ?
C75 C76 H76 119.9 . . ?
C78 C77 C76 120.3(8) . . ?
C78 C77 H77 119.8 . . ?
C76 C77 H77 119.8 . . ?
C77 C78 C79 120.3(8) . . ?
C77 C78 H78 119.9 . . ?
C79 C78 H78 119.9 . . ?
C80 C79 C78 120.3(8) . . ?
C80 C79 H79 119.9 . . ?
C78 C79 H79 119.9 . . ?
C75 C80 C79 119.0(8) . . ?
C75 C80 H80 120.5 . . ?
C79 C80 H80 120.5 . . ?
C86 C81 C82 119.6(6) . . ?
C86 C81 P4 120.9(5) . . ?
C82 C81 P4 119.6(5) . . ?
C81 C82 C83 119.3(7) . . ?
C81 C82 H82 120.4 . . ?
C83 C82 H82 120.4 . . ?
C84 C83 C82 121.2(8) . . ?
C84 C83 H83 119.4 . . ?
C82 C83 H83 119.4 . . ?
C83 C84 C85 119.9(8) . . ?
C83 C84 H84 120.0 . . ?
C85 C84 H84 120.0 . . ?
C84 C85 C86 120.1(8) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C81 C86 C85 119.9(7) . . ?
C81 C86 H86 120.1 . . ?
C85 C86 H86 120.1 . . ?
C88 C87 Pt2 171.9(5) . . ?
C87 C88 C89 172.7(7) . . ?
C93 C89 C90 116.2(6) . . ?
C93 C89 C88 121.1(6) . . ?
C90 C89 C88 122.7(6) . . ?
C91 C90 C89 120.2(6) . . ?
C91 C90 H90 119.9 . . ?
C89 C90 H90 119.9 . . ?
N3 C91 C90 123.3(6) . . ?
N3 C91 H91 118.4 . . ?
C90 C91 H91 118.4 . . ?
C91 N3 C92 117.1(6) . . ?
C91 N3 Cd1 118.9(4) . . ?
C92 N3 Cd1 120.5(4) . . ?
N3 C92 C93 123.2(6) . . ?
N3 C92 H92 118.4 . . ?
C93 C92 H92 118.4 . . ?
C92 C93 C89 120.0(6) . . ?
C92 C93 H93 120.0 . . ?
C89 C93 H93 120.0 . . ?
C95 C94 Pt2 172.8(5) . . ?
C94 C95 C96 174.0(7) . . ?
C97 C96 C100 116.9(5) . . ?
C97 C96 C95 122.0(6) . . ?
C100 C96 C95 121.1(6) . . ?
C96 C97 C98 120.6(6) . . ?
C96 C97 H97 119.7 . . ?
C98 C97 H97 119.7 . . ?
N4 C98 C97 123.1(6) . . ?
N4 C98 H98 118.4 . . ?
C97 C98 H98 118.4 . . ?
C98 N4 C99 116.9(5) . . ?
C98 N4 Cd1 122.0(4) . 1_545 ?
C99 N4 Cd1 117.0(4) . 1_545 ?
N4 C99 C100 122.9(6) . . ?
N4 C99 H99 118.6 . . ?
C100 C99 H99 118.6 . . ?
C99 C100 C96 119.4(6) . . ?
C99 C100 H100 120.3 . . ?
C96 C100 H100 120.3 . . ?
Cl1 C101 Cl3 111.0(6) . . ?
Cl1 C101 Cl2 111.1(5) . . ?
Cl3 C101 Cl2 109.1(4) . . ?
Cl1 C101 H101 108.5 . . ?
Cl3 C101 H101 108.5 . . ?
Cl2 C101 H101 108.5 . . ?
Cl6 C102 Cl4 112.7(13) . . ?
Cl6 C102 Cl5 103.5(14) . . ?
Cl4 C102 Cl5 103.5(13) . . ?
Cl6 C102 H102 112.2 . . ?
Cl4 C102 H102 112.2 . . ?
Cl5 C102 H102 112.2 . . ?
Cl7 C103 Cl9 104.2(14) . . ?
Cl7 C103 Cl8 108.7(11) . . ?
Cl9 C103 Cl8 111.6(13) . . ?
Cl7 C103 H103 110.7 . . ?
Cl9 C103 H103 110.7 . . ?
Cl8 C103 H103 110.7 . . ?
Cl12 C104 Cl11 108.4(11) . . ?
Cl12 C104 Cl10 109.3(12) . . ?
Cl11 C104 Cl10 105.2(11) . . ?
Cl12 C104 H104 111.2 . . ?
Cl11 C104 H104 111.2 . . ?
Cl10 C104 H104 111.2 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        29.08
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.890
_refine_diff_density_min         -1.418
_refine_diff_density_rms         0.183
####################################################################### 
# 
# 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_e2986a
_database_code_depnum_ccdc_archive 'CCDC 1403454'
_audit_update_record             
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C51 H41 Cd Cl2 N2 O P2 Pt,2(C2 H2 Cl4)'
_chemical_formula_sum            'C55 H45 Cd Cl10 N2 O P2 Pt'
_chemical_formula_weight         1473.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7730(3)
_cell_length_b                   18.3347(5)
_cell_length_c                   19.9481(6)
_cell_angle_alpha                96.5820(10)
_cell_angle_beta                 102.6170(10)
_cell_angle_gamma                100.1690(10)
_cell_volume                     3389.35(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9791
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      31.45

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1446
_exptl_absorpt_coefficient_mu    2.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8476
_exptl_absorpt_correction_T_max  0.8706
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 Because we didn't identify the solvents we used the squeezze command 
;

_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            19923
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         30.72
_reflns_number_total             19923
_reflns_number_gt                16147
_reflns_threshold_expression     >2sigma(I)

_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          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1131P)²+9.5243P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         19923
_refine_ls_number_parameters     707
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0566
_refine_ls_wR_factor_ref         0.1835
_refine_ls_wR_factor_gt          0.1735
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.18606(4) 0.474556(18) 0.039406(16) 0.01747(9) Uani 1 1 d . . .
Cl1 Cl 0.07791(13) 0.59492(7) 0.01832(6) 0.0241(2) Uani 1 1 d . . .
Cl2 Cl 0.43799(14) 0.55520(7) 0.07742(7) 0.0267(3) Uani 1 1 d . . .
N1 N 0.2661(5) 0.3610(2) 0.0513(2) 0.0265(9) Uani 1 1 d . . .
C1 C 0.3994(6) 0.3559(3) 0.0483(3) 0.0277(11) Uani 1 1 d . . .
H1 H 0.4660 0.4004 0.0481 0.033 Uiso 1 1 calc R . .
C2 C 0.4444(6) 0.2882(3) 0.0454(3) 0.0297(12) Uani 1 1 d . . .
H2 H 0.5408 0.2871 0.0445 0.036 Uiso 1 1 calc R . .
C3 C 0.3484(7) 0.2218(3) 0.0439(3) 0.0328(13) Uani 1 1 d . . .
C4 C 0.2124(8) 0.2284(4) 0.0490(5) 0.050(2) Uani 1 1 d . . .
H4 H 0.1445 0.1851 0.0508 0.060 Uiso 1 1 calc R . .
C5 C 0.1745(8) 0.2978(4) 0.0515(5) 0.0472(18) Uani 1 1 d . . .
H5 H 0.0792 0.3005 0.0534 0.057 Uiso 1 1 calc R . .
C6 C 0.3916(7) 0.1513(3) 0.0363(3) 0.0335(12) Uani 1 1 d . . .
C7 C 0.4298(6) 0.0933(3) 0.0238(3) 0.0300(11) Uani 1 1 d . . .
Pt1 Pt 0.5000 0.0000 0.0000 0.02663(8) Uani 1 2 d S . .
P1 P 0.68280(17) 0.03488(8) 0.10028(8) 0.0299(3) Uani 1 1 d . . .
C8 C 0.6239(8) 0.0061(3) 0.1750(3) 0.0371(14) Uani 1 1 d . . .
C9 C 0.7195(11) -0.0062(5) 0.2343(4) 0.063(2) Uani 1 1 d . . .
H9 H 0.8183 -0.0021 0.2355 0.075 Uiso 1 1 calc R . .
C10 C 0.6679(13) -0.0243(6) 0.2910(5) 0.077(3) Uani 1 1 d . . .
H10 H 0.7325 -0.0330 0.3309 0.092 Uiso 1 1 calc R . .
C11 C 0.5317(13) -0.0297(5) 0.2913(5) 0.068(3) Uani 1 1 d . . .
H11 H 0.4994 -0.0420 0.3310 0.081 Uiso 1 1 calc R . .
C12 C 0.4351(12) -0.0172(6) 0.2333(6) 0.070(3) Uani 1 1 d . . .
H12 H 0.3372 -0.0205 0.2338 0.084 Uiso 1 1 calc R . .
C13 C 0.4807(9) 0.0002(4) 0.1749(4) 0.0481(17) Uani 1 1 d . . .
H13 H 0.4143 0.0079 0.1352 0.058 Uiso 1 1 calc R . .
C14 C 0.8449(7) -0.0026(4) 0.1005(4) 0.0383(14) Uani 1 1 d . . .
C15 C 0.9655(7) 0.0402(4) 0.0900(4) 0.0409(15) Uani 1 1 d . . .
H15 H 0.9676 0.0913 0.0850 0.049 Uiso 1 1 calc R . .
C16 C 1.0847(8) 0.0101(5) 0.0865(4) 0.0525(19) Uani 1 1 d . . .
H16 H 1.1667 0.0404 0.0780 0.063 Uiso 1 1 calc R . .
C17 C 1.0856(9) -0.0636(6) 0.0951(5) 0.064(2) Uani 1 1 d . . .
H17 H 1.1680 -0.0839 0.0934 0.077 Uiso 1 1 calc R . .
C18 C 0.9657(10) -0.1068(5) 0.1063(6) 0.068(3) Uani 1 1 d . . .
H18 H 0.9655 -0.1574 0.1125 0.082 Uiso 1 1 calc R . .
C19 C 0.8433(9) -0.0777(4) 0.1085(5) 0.054(2) Uani 1 1 d . . .
H19 H 0.7602 -0.1084 0.1155 0.064 Uiso 1 1 calc R . .
C20 C 0.7528(7) 0.1358(3) 0.1237(4) 0.0372(14) Uani 1 1 d . . .
C21 C 0.7607(8) 0.1778(4) 0.0710(5) 0.0500(19) Uani 1 1 d . . .
H21 H 0.7271 0.1551 0.0235 0.060 Uiso 1 1 calc R . .
C22 C 0.8204(10) 0.2557(5) 0.0895(7) 0.071(3) Uani 1 1 d . . .
H22 H 0.8256 0.2856 0.0539 0.085 Uiso 1 1 calc R . .
C23 C 0.8699(12) 0.2881(5) 0.1566(8) 0.081(4) Uani 1 1 d . . .
H23 H 0.9111 0.3403 0.1677 0.097 Uiso 1 1 calc R . .
C24 C 0.8615(12) 0.2471(5) 0.2086(7) 0.085(4) Uani 1 1 d . . .
H24 H 0.8963 0.2705 0.2558 0.102 Uiso 1 1 calc R . .
C25 C 0.8009(9) 0.1697(4) 0.1924(5) 0.058(2) Uani 1 1 d . . .
H25 H 0.7932 0.1410 0.2286 0.069 Uiso 1 1 calc R . .
N2 N 0.1476(5) 0.4737(3) 0.1504(2) 0.0253(9) Uani 1 1 d . . .
C26 C 0.2501(7) 0.4632(5) 0.2021(3) 0.052(2) Uani 1 1 d . . .
H26 H 0.3338 0.4506 0.1913 0.062 Uiso 1 1 calc R . .
C27 C 0.2417(7) 0.4696(6) 0.2711(3) 0.055(2) Uani 1 1 d . . .
H27 H 0.3195 0.4633 0.3064 0.066 Uiso 1 1 calc R . .
C28 C 0.1183(6) 0.4854(4) 0.2880(3) 0.0290(11) Uani 1 1 d . . .
C29 C 0.0107(6) 0.4950(4) 0.2336(3) 0.0287(12) Uani 1 1 d . . .
H29 H -0.0759 0.5057 0.2424 0.034 Uiso 1 1 calc R . .
C30 C 0.0295(6) 0.4889(3) 0.1665(3) 0.0275(11) Uani 1 1 d . . .
H30 H -0.0457 0.4960 0.1302 0.033 Uiso 1 1 calc R . .
C31 C 0.0980(7) 0.4899(4) 0.3567(3) 0.0324(12) Uani 1 1 d . . .
C32 C 0.0676(6) 0.4946(4) 0.4130(3) 0.0302(12) Uani 1 1 d . . .
Pt2 Pt 0.0000 0.5000 0.5000 0.02545(8) Uani 1 2 d S . .
P2 P -0.19791(15) 0.41152(9) 0.43747(7) 0.0272(3) Uani 1 1 d . . .
C33 C -0.2671(6) 0.4369(4) 0.3528(3) 0.0341(13) Uani 1 1 d . . .
C34 C -0.3158(9) 0.3836(5) 0.2921(3) 0.0525(19) Uani 1 1 d . . .
H34 H -0.3125 0.3322 0.2931 0.063 Uiso 1 1 calc R . .
C35 C -0.3696(9) 0.4088(7) 0.2299(4) 0.069(3) Uani 1 1 d . . .
H35 H -0.4027 0.3731 0.1884 0.082 Uiso 1 1 calc R . .
C36 C -0.3768(8) 0.4787(7) 0.2257(4) 0.072(3) Uani 1 1 d . . .
H36 H -0.4118 0.4933 0.1820 0.086 Uiso 1 1 calc R . .
C37 C -0.3327(9) 0.5310(6) 0.2858(5) 0.061(2) Uani 1 1 d . . .
H37 H -0.3415 0.5815 0.2837 0.073 Uiso 1 1 calc R . .
C38 C -0.2751(8) 0.5104(5) 0.3498(4) 0.0468(17) Uani 1 1 d . . .
H38 H -0.2419 0.5470 0.3907 0.056 Uiso 1 1 calc R . .
C39 C -0.3543(6) 0.3938(4) 0.4736(3) 0.0313(12) Uani 1 1 d . . .
C40 C -0.4835(7) 0.4126(5) 0.4441(4) 0.0455(16) Uani 1 1 d . . .
H40 H -0.4923 0.4361 0.4038 0.055 Uiso 1 1 calc R . .
C41 C -0.6001(9) 0.3969(5) 0.4737(5) 0.059(2) Uani 1 1 d . . .
H41 H -0.6877 0.4105 0.4540 0.071 Uiso 1 1 calc R . .
C42 C -0.5882(9) 0.3617(5) 0.5312(5) 0.056(2) Uani 1 1 d . . .
H42 H -0.6679 0.3504 0.5510 0.067 Uiso 1 1 calc R . .
C43 C -0.4637(9) 0.3435(5) 0.5592(4) 0.056(2) Uani 1 1 d . . .
H43 H -0.4571 0.3186 0.5987 0.067 Uiso 1 1 calc R . .
C44 C -0.3466(9) 0.3595(5) 0.5330(4) 0.0502(18) Uani 1 1 d . . .
H44 H -0.2590 0.3473 0.5551 0.060 Uiso 1 1 calc R . .
C45 C -0.1582(7) 0.3189(4) 0.4216(3) 0.0363(13) Uani 1 1 d . . .
C46 C -0.0161(9) 0.3117(5) 0.4348(5) 0.055(2) Uani 1 1 d . . .
H46 H 0.0598 0.3546 0.4502 0.066 Uiso 1 1 calc R . .
C47 C 0.0136(12) 0.2372(6) 0.4243(7) 0.082(3) Uani 1 1 d . . .
H47 H 0.1097 0.2305 0.4358 0.098 Uiso 1 1 calc R . .
C48 C -0.0973(14) 0.1760(6) 0.3979(7) 0.084(3) Uani 1 1 d . . .
H48 H -0.0780 0.1274 0.3884 0.101 Uiso 1 1 calc R . .
C49 C -0.2333(13) 0.1859(5) 0.3857(6) 0.077(3) Uani 1 1 d . . .
H49 H -0.3092 0.1434 0.3672 0.093 Uiso 1 1 calc R . .
C50 C -0.2667(9) 0.2549(5) 0.3989(5) 0.055(2) Uani 1 1 d . . .
H50 H -0.3642 0.2589 0.3926 0.066 Uiso 1 1 calc R . .
O1 O 0.2434(4) 0.4492(2) -0.07285(19) 0.0292(8) Uani 1 1 d D . .
C57 C 0.1872(7) 0.3783(4) -0.1193(3) 0.0395(14) Uani 1 1 d D . .
H57A H 0.2399 0.3407 -0.1023 0.059 Uiso 1 1 calc R . .
H57B H 0.1983 0.3847 -0.1661 0.059 Uiso 1 1 calc R . .
H57C H 0.0853 0.3617 -0.1210 0.059 Uiso 1 1 calc R . .
Cl3 Cl 0.1300(4) 0.0804(2) 0.2847(2) 0.1138(12) Uani 1 1 d D . .
Cl4 Cl 0.3425(4) 0.1937(4) 0.3779(2) 0.180(3) Uani 1 1 d D . .
C51 C 0.2077(18) 0.1768(9) 0.2971(10) 0.172(3) Uani 1 1 d D . .
H51 H 0.1317 0.2039 0.3063 0.230 Uiso 1 1 calc R . .
C52 C 0.245(2) 0.2009(9) 0.2359(12) 0.172(3) Uani 1 1 d D . .
H52 H 0.1653 0.1814 0.1931 0.223 Uiso 1 1 calc R . .
Cl5 Cl 0.4152(8) 0.1812(3) 0.2243(2) 0.177(3) Uani 1 1 d D . .
Cl6 Cl 0.2746(7) 0.2980(3) 0.2577(5) 0.195(3) Uani 1 1 d D . .
Cl9 Cl 0.2809(9) 0.6524(2) 0.2369(2) 0.103(3) Uani 0.50 1 d PD . .
Cl10 Cl 0.5352(7) 0.7728(3) 0.2685(3) 0.105(2) Uani 0.50 1 d PD . .
C53 C 0.4230(17) 0.7004(8) 0.2073(8) 0.060(5) Uani 0.50 1 d PD . .
H53 H 0.4793 0.6644 0.1911 0.072 Uiso 0.50 1 calc PR . .
C54 C 0.3432(13) 0.7280(6) 0.1480(7) 0.060(5) Uani 0.50 1 d PD . .
H54 H 0.2847 0.6834 0.1137 0.072 Uiso 0.50 1 calc PR . .
Cl8 Cl 0.2270(5) 0.7848(3) 0.1675(4) 0.0829(17) Uani 0.50 1 d PD . .
Cl11 Cl 0.4603(8) 0.7833(2) 0.1039(3) 0.094(2) Uani 0.50 1 d PD . .
Cl12 Cl -0.0120(7) 0.6768(3) 0.3543(4) 0.112(3) Uani 0.50 1 d PD . .
Cl13 Cl -0.1192(12) 0.8184(6) 0.4006(4) 0.140(3) Uani 0.50 1 d PD . .
C55 C 0.017(4) 0.7769(11) 0.3818(19) 0.140(3) Uani 0.50 1 d PD . .
H55 H 0.1101 0.7967 0.4171 0.174 Uiso 0.50 1 calc PR . .
C56 C 0.014(4) 0.8073(15) 0.3191(16) 0.140(3) Uani 0.50 1 d PD . .
H56 H 0.0878 0.7832 0.3029 0.174 Uiso 0.50 1 calc PR . .
Cl14 Cl -0.1216(10) 0.7780(5) 0.2476(5) 0.135(3) Uani 0.50 1 d PD . .
Cl15 Cl 0.0779(15) 0.8988(5) 0.3087(7) 0.168(5) Uani 0.50 1 d PD . .


_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
Cd1 N2 2.326(4) . ?
Cd1 N1 2.369(4) . ?
Cd1 O1 2.438(4) . ?
Cd1 Cl2 2.5427(14) . ?
Cd1 Cl1 2.6095(13) 2_565 ?
Cd1 Cl1 2.6469(11) . ?
Cl1 Cd1 2.6095(13) 2_565 ?
N1 C5 1.335(8) . ?
N1 C1 1.336(7) . ?
C1 C2 1.389(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.392(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.380(9) . ?
C3 C6 1.431(7) . ?
C4 C5 1.385(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.204(7) . ?
C7 Pt1 1.999(5) . ?
Pt1 C7 1.999(5) 2_655 ?
Pt1 P1 2.3118(16) 2_655 ?
Pt1 P1 2.3118(16) . ?
P1 C8 1.812(7) . ?
P1 C20 1.824(6) . ?
P1 C14 1.834(6) . ?
C8 C13 1.384(11) . ?
C8 C9 1.405(10) . ?
C9 C10 1.386(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.318(16) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(15) . ?
C11 H11 0.9500 . ?
C12 C13 1.384(11) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.368(10) . ?
C14 C19 1.401(9) . ?
C15 C16 1.386(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.370(14) . ?
C17 H17 0.9500 . ?
C18 C19 1.400(11) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.380(10) . ?
C20 C25 1.381(11) . ?
C21 C22 1.417(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.347(17) . ?
C22 H22 0.9500 . ?
C23 C24 1.357(18) . ?
C23 H23 0.9500 . ?
C24 C25 1.407(11) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
N2 C26 1.329(7) . ?
N2 C30 1.331(6) . ?
C26 C27 1.390(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(7) . ?
C28 C31 1.423(7) . ?
C29 C30 1.385(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.220(7) . ?
C32 Pt2 1.986(5) . ?
Pt2 C32 1.986(5) 2_566 ?
Pt2 P2 2.3028(16) 2_566 ?
Pt2 P2 2.3028(16) . ?
P2 C45 1.816(7) . ?
P2 C33 1.821(5) . ?
P2 C39 1.823(6) . ?
C33 C38 1.372(10) . ?
C33 C34 1.400(10) . ?
C34 C35 1.401(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.308(15) . ?
C35 H35 0.9500 . ?
C36 C37 1.381(15) . ?
C36 H36 0.9500 . ?
C37 C38 1.399(9) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.391(9) . ?
C39 C44 1.397(9) . ?
C40 C41 1.395(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.372(13) . ?
C41 H41 0.9500 . ?
C42 C43 1.339(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.360(10) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.389(10) . ?
C45 C50 1.392(11) . ?
C46 C47 1.446(13) . ?
C46 H46 0.9500 . ?
C47 C48 1.377(17) . ?
C47 H47 0.9500 . ?
C48 C49 1.347(16) . ?
C48 H48 0.9500 . ?
C49 C50 1.373(13) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
O1 C57 1.449(7) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
Cl3 C51 1.761(16) . ?
Cl4 C51 1.800(17) . ?
C51 C52 1.442(18) . ?
C51 H51 1.0000 . ?
C52 Cl6 1.740(16) . ?
C52 Cl5 1.823(16) . ?
C52 H52 1.0000 . ?
Cl9 C53 1.760(19) . ?
Cl10 C53 1.728(12) . ?
C53 C54 1.463(17) . ?
C53 H53 1.0000 . ?
C54 Cl8 1.744(12) . ?
C54 Cl11 1.829(14) . ?
C54 H54 1.0000 . ?
Cl12 C55 1.806(19) . ?
Cl13 C55 1.73(2) . ?
C55 C56 1.42(2) . ?
C55 H55 1.0000 . ?
C56 Cl14 1.682(18) . ?
C56 Cl15 1.74(2) . ?
C56 H56 1.0000 . ?

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
N2 Cd1 N1 86.88(15) . . ?
N2 Cd1 O1 167.15(14) . . ?
N1 Cd1 O1 80.26(14) . . ?
N2 Cd1 Cl2 96.48(13) . . ?
N1 Cd1 Cl2 93.70(13) . . ?
O1 Cd1 Cl2 84.62(10) . . ?
N2 Cd1 Cl1 91.67(12) . 2_565 ?
N1 Cd1 Cl1 92.97(13) . 2_565 ?
O1 Cd1 Cl1 88.83(10) . 2_565 ?
Cl2 Cd1 Cl1 169.73(4) . 2_565 ?
N2 Cd1 Cl1 94.76(11) . . ?
N1 Cd1 Cl1 175.27(13) . . ?
O1 Cd1 Cl1 98.04(10) . . ?
Cl2 Cd1 Cl1 90.52(4) . . ?
Cl1 Cd1 Cl1 82.56(4) 2_565 . ?
Cd1 Cl1 Cd1 97.44(4) 2_565 . ?
C5 N1 C1 117.6(5) . . ?
C5 N1 Cd1 120.9(4) . . ?
C1 N1 Cd1 120.8(4) . . ?
N1 C1 C2 122.5(6) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 120.1(5) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 116.5(5) . . ?
C4 C3 C6 123.2(6) . . ?
C2 C3 C6 120.2(5) . . ?
C3 C4 C5 120.3(6) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
N1 C5 C4 122.8(6) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
C7 C6 C3 173.8(7) . . ?
C6 C7 Pt1 176.8(6) . . ?
C7 Pt1 C7 179.998(1) . 2_655 ?
C7 Pt1 P1 90.52(18) . 2_655 ?
C7 Pt1 P1 89.48(18) 2_655 2_655 ?
C7 Pt1 P1 89.48(18) . . ?
C7 Pt1 P1 90.52(18) 2_655 . ?
P1 Pt1 P1 180.0 2_655 . ?
C8 P1 C20 105.4(3) . . ?
C8 P1 C14 105.0(3) . . ?
C20 P1 C14 102.9(3) . . ?
C8 P1 Pt1 111.4(2) . . ?
C20 P1 Pt1 114.4(2) . . ?
C14 P1 Pt1 116.6(2) . . ?
C13 C8 C9 119.1(7) . . ?
C13 C8 P1 118.4(5) . . ?
C9 C8 P1 122.4(6) . . ?
C10 C9 C8 119.2(10) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C11 C10 C9 122.0(9) . . ?
C11 C10 H10 119.0 . . ?
C9 C10 H10 119.0 . . ?
C10 C11 C12 119.9(9) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 120.5(10) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C8 119.3(8) . . ?
C12 C13 H13 120.3 . . ?
C8 C13 H13 120.3 . . ?
C15 C14 C19 119.2(6) . . ?
C15 C14 P1 121.3(5) . . ?
C19 C14 P1 119.5(6) . . ?
C14 C15 C16 120.8(7) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 120.8(8) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C18 C17 C16 118.8(7) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 121.2(8) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C18 C19 C14 119.3(8) . . ?
C18 C19 H19 120.4 . . ?
C14 C19 H19 120.4 . . ?
C21 C20 C25 120.2(7) . . ?
C21 C20 P1 118.5(6) . . ?
C25 C20 P1 121.3(6) . . ?
C20 C21 C22 118.2(9) . . ?
C20 C21 H21 120.9 . . ?
C22 C21 H21 120.9 . . ?
C23 C22 C21 121.2(9) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C23 C24 120.7(8) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C25 119.9(11) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C20 C25 C24 119.8(10) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C26 N2 C30 117.0(4) . . ?
C26 N2 Cd1 120.2(3) . . ?
C30 N2 Cd1 122.7(3) . . ?
N2 C26 C27 123.8(5) . . ?
N2 C26 H26 118.1 . . ?
C27 C26 H26 118.1 . . ?
C28 C27 C26 119.3(5) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C29 C28 C27 116.7(5) . . ?
C29 C28 C31 120.2(5) . . ?
C27 C28 C31 123.1(5) . . ?
C30 C29 C28 120.1(5) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
N2 C30 C29 123.2(5) . . ?
N2 C30 H30 118.4 . . ?
C29 C30 H30 118.4 . . ?
C32 C31 C28 173.9(6) . . ?
C31 C32 Pt2 174.9(5) . . ?
C32 Pt2 C32 180.0(4) . 2_566 ?
C32 Pt2 P2 93.93(18) . 2_566 ?
C32 Pt2 P2 86.07(18) 2_566 2_566 ?
C32 Pt2 P2 86.07(18) . . ?
C32 Pt2 P2 93.93(18) 2_566 . ?
P2 Pt2 P2 180.0 2_566 . ?
C45 P2 C33 107.0(3) . . ?
C45 P2 C39 103.0(3) . . ?
C33 P2 C39 104.1(3) . . ?
C45 P2 Pt2 112.5(2) . . ?
C33 P2 Pt2 110.7(2) . . ?
C39 P2 Pt2 118.6(2) . . ?
C38 C33 C34 119.8(6) . . ?
C38 C33 P2 118.1(5) . . ?
C34 C33 P2 122.1(6) . . ?
C33 C34 C35 117.5(9) . . ?
C33 C34 H34 121.2 . . ?
C35 C34 H34 121.2 . . ?
C36 C35 C34 123.8(9) . . ?
C36 C35 H35 118.1 . . ?
C34 C35 H35 118.1 . . ?
C35 C36 C37 118.8(7) . . ?
C35 C36 H36 120.6 . . ?
C37 C36 H36 120.6 . . ?
C36 C37 C38 120.8(9) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C33 C38 C37 119.3(8) . . ?
C33 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
C40 C39 C44 117.9(6) . . ?
C40 C39 P2 122.5(5) . . ?
C44 C39 P2 119.6(5) . . ?
C39 C40 C41 120.0(7) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 120.1(8) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 119.7(7) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C42 C43 C44 122.0(8) . . ?
C42 C43 H43 119.0 . . ?
C44 C43 H43 119.0 . . ?
C43 C44 C39 120.3(7) . . ?
C43 C44 H44 119.8 . . ?
C39 C44 H44 119.8 . . ?
C46 C45 C50 119.3(7) . . ?
C46 C45 P2 119.1(6) . . ?
C50 C45 P2 121.5(5) . . ?
C45 C46 C47 118.4(9) . . ?
C45 C46 H46 120.8 . . ?
C47 C46 H46 120.8 . . ?
C48 C47 C46 120.1(9) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
C49 C48 C47 119.3(9) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C48 C49 C50 122.5(10) . . ?
C48 C49 H49 118.7 . . ?
C50 C49 H49 118.7 . . ?
C49 C50 C45 120.1(8) . . ?
C49 C50 H50 119.9 . . ?
C45 C50 H50 119.9 . . ?
C57 O1 Cd1 122.8(4) . . ?
O1 C57 H57A 109.5 . . ?
O1 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
O1 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C52 C51 Cl3 113.1(13) . . ?
C52 C51 Cl4 119.8(15) . . ?
Cl3 C51 Cl4 105.0(10) . . ?
C52 C51 H51 106.0 . . ?
Cl3 C51 H51 106.0 . . ?
Cl4 C51 H51 106.0 . . ?
C51 C52 Cl6 101.4(13) . . ?
C51 C52 Cl5 113.4(17) . . ?
Cl6 C52 Cl5 105.3(9) . . ?
C51 C52 H52 112.0 . . ?
Cl6 C52 H52 112.0 . . ?
Cl5 C52 H52 112.0 . . ?
C54 C53 Cl10 111.8(11) . . ?
C54 C53 Cl9 100.5(10) . . ?
Cl10 C53 Cl9 113.5(10) . . ?
C54 C53 H53 110.2 . . ?
Cl10 C53 H53 110.2 . . ?
Cl9 C53 H53 110.2 . . ?
C53 C54 Cl8 115.3(10) . . ?
C53 C54 Cl11 112.7(11) . . ?
Cl8 C54 Cl11 105.4(7) . . ?
C53 C54 H54 107.7 . . ?
Cl8 C54 H54 107.7 . . ?
Cl11 C54 H54 107.7 . . ?
C56 C55 Cl13 93(3) . . ?
C56 C55 Cl12 104.0(19) . . ?
Cl13 C55 Cl12 121.2(18) . . ?
C56 C55 H55 112.0 . . ?
Cl13 C55 H55 112.0 . . ?
Cl12 C55 H55 112.0 . . ?
C55 C56 Cl14 123(2) . . ?
C55 C56 Cl15 129(2) . . ?
Cl14 C56 Cl15 101.6(14) . . ?
C55 C56 H56 98.6 . . ?
Cl14 C56 H56 98.6 . . ?
Cl15 C56 H56 98.6 . . ?

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        30.72
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         2.003
_refine_diff_density_min         -1.790
_refine_diff_density_rms         0.214

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.020 0.000 0.500 291 58 ' '
_platon_squeeze_details          
; 
;
