#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:25:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178650 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/61/4076158.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4076158
loop_
_publ_author_name
'Song, Li-Cheng'
'Jin, Guo-Xia'
'Wang, Hu-Ting'
'Zhang, Wen-Xiong'
'Hu, Qing-Mei'
_publ_section_title
;
 Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing
 Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine
 (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II)
 Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf],
 and [Pt(dpab)(H2O)2][OTf]2
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6464
_journal_paper_doi               10.1021/om050668s
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C102 H78 Cl18 Co4 F12 N4 O24 P4 Pt2 S4'
_chemical_formula_weight         3487.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.828(6)
_cell_angle_beta                 102.927(7)
_cell_angle_gamma                96.944(7)
_cell_formula_units_Z            1
_cell_length_a                   13.813(6)
_cell_length_b                   16.650(7)
_cell_length_c                   18.558(8)
_cell_measurement_reflns_used    3099
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.177
_cell_measurement_theta_min      2.276
_cell_volume                     3697(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0682
_diffrn_reflns_av_sigmaI/netI    0.1873
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19316
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.822
_exptl_absorpt_correction_T_max  0.7283
_exptl_absorpt_correction_T_min  0.5508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.949
_refine_diff_density_min         -1.425
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.876
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         13482
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0046P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1156
_reflns_number_gt                7232
_reflns_number_total             13482
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050668ssi20050803_051522.cif
_cod_data_source_block           50313a1m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4076158
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pt1 Pt 0.72929(3) 0.80277(2) 0.69760(2) 0.03612(11) Uani 1 1 d .
N1 N 1.2357(5) 1.0658(4) 1.2072(4) 0.0359(18) Uani 1 1 d .
N2 N 0.8494(5) 0.7826(4) 0.7736(4) 0.0396(18) Uani 1 1 d .
C1 C 0.8273(6) 0.7385(5) 0.8153(4) 0.036(2) Uani 1 1 d .
H1 H 0.7590 0.7167 0.8086 0.043 Uiso 1 1 calc R
C2 C 0.9010(7) 0.7237(6) 0.8680(5) 0.047(2) Uani 1 1 d .
H2 H 0.8824 0.6892 0.8938 0.057 Uiso 1 1 calc R
C3 C 1.0038(6) 0.7600(5) 0.8834(4) 0.034(2) Uani 1 1 d .
C4 C 1.0232(6) 0.8086(6) 0.8419(5) 0.050(3) Uani 1 1 d .
H4 H 1.0906 0.8351 0.8504 0.060 Uiso 1 1 calc R
C5 C 0.9473(7) 0.8194(5) 0.7890(5) 0.042(2) Uani 1 1 d .
H5 H 0.9640 0.8535 0.7624 0.051 Uiso 1 1 calc R
C6 C 1.0820(6) 0.7466(5) 0.9417(5) 0.047(2) Uani 1 1 d .
C7 C 1.1533(7) 0.7971(6) 1.0175(5) 0.044(2) Uani 1 1 d .
C8 C 1.1856(6) 0.8901(5) 1.0837(4) 0.037(2) Uani 1 1 d .
C9 C 1.2347(8) 0.9588(6) 1.0757(5) 0.064(3) Uani 1 1 d .
H9 H 1.2515 0.9478 1.0272 0.076 Uiso 1 1 calc R
C10 C 1.2612(8) 1.0467(6) 1.1391(5) 0.057(3) Uani 1 1 d .
H10 H 1.2979 1.0930 1.1330 0.069 Uiso 1 1 calc R
C11 C 1.1854(6) 0.9996(6) 1.2166(5) 0.051(3) Uani 1 1 d .
H11 H 1.1662 1.0126 1.2643 0.061 Uiso 1 1 calc R
C12 C 1.1609(7) 0.9103(6) 1.1555(5) 0.055(3) Uani 1 1 d .
H12 H 1.1274 0.8642 1.1637 0.066 Uiso 1 1 calc R
C13 C 1.1805(11) 0.6670(8) 1.0883(8) 0.099(4) Uani 1 1 d .
C14 C 0.9896(10) 0.7034(8) 1.0519(6) 0.070(4) Uani 1 1 d .
C15 C 1.0322(10) 0.5616(8) 0.9294(7) 0.088(4) Uani 1 1 d .
C16 C 1.1830(9) 0.6105(8) 0.8470(7) 0.085(4) Uani 1 1 d .
C17 C 1.2697(12) 0.7884(8) 0.9090(7) 0.096(5) Uani 1 1 d .
C18 C 1.3318(10) 0.7047(8) 1.0029(8) 0.089(4) Uani 1 1 d .
C19 C 0.7596(7) 0.5865(6) 0.6372(5) 0.047(2) Uani 1 1 d .
C20 C 0.8501(8) 0.5689(7) 0.6385(6) 0.064(3) Uani 1 1 d .
H20 H 0.8935 0.5943 0.6176 0.077 Uiso 1 1 calc R
C21 C 0.8785(11) 0.5120(9) 0.6715(8) 0.107(5) Uani 1 1 d .
H21 H 0.9425 0.4993 0.6729 0.129 Uiso 1 1 calc R
C22 C 0.8175(14) 0.4738(8) 0.7020(7) 0.105(6) Uani 1 1 d .
H22 H 0.8385 0.4351 0.7238 0.126 Uiso 1 1 calc R
C23 C 0.7241(11) 0.4933(8) 0.7001(8) 0.092(4) Uani 1 1 d .
H23 H 0.6807 0.4677 0.7209 0.110 Uiso 1 1 calc R
C24 C 0.6948(8) 0.5480(6) 0.6692(5) 0.057(3) Uani 1 1 d .
H24 H 0.6311 0.5611 0.6684 0.068 Uiso 1 1 calc R
C25 C 0.7932(7) 0.6659(6) 0.5328(5) 0.048(2) Uani 1 1 d .
C26 C 0.7742(8) 0.5938(7) 0.4564(6) 0.075(3) Uani 1 1 d .
H26 H 0.7219 0.5429 0.4381 0.091 Uiso 1 1 calc R
C27 C 0.8328(11) 0.5993(9) 0.4097(6) 0.111(5) Uani 1 1 d .
H27 H 0.8182 0.5523 0.3570 0.133 Uiso 1 1 calc R
C28 C 0.9141(10) 0.6716(11) 0.4358(8) 0.111(5) Uani 1 1 d .
H28 H 0.9563 0.6710 0.4031 0.133 Uiso 1 1 calc R
C29 C 0.9315(9) 0.7430(8) 0.5097(7) 0.088(4) Uani 1 1 d .
H29 H 0.9839 0.7936 0.5272 0.105 Uiso 1 1 calc R
C30 C 0.8724(7) 0.7409(7) 0.5584(6) 0.060(3) Uani 1 1 d .
H30 H 0.8847 0.7901 0.6094 0.073 Uiso 1 1 calc R
C31 C 0.5908(6) 0.5976(5) 0.5253(5) 0.050(3) Uani 1 1 d .
H31A H 0.5964 0.5373 0.4911 0.060 Uiso 1 1 calc R
H31B H 0.5447 0.5917 0.5563 0.060 Uiso 1 1 calc R
C32 C 0.5448(7) 0.6381(6) 0.4697(5) 0.057(3) Uani 1 1 d .
H32A H 0.5970 0.6866 0.4753 0.068 Uiso 1 1 calc R
H32B H 0.5240 0.5922 0.4129 0.068 Uiso 1 1 calc R
C33 C 0.4557(7) 0.6740(6) 0.4877(5) 0.066(3) Uani 1 1 d .
H33A H 0.3998 0.6234 0.4727 0.079 Uiso 1 1 calc R
H33B H 0.4348 0.7024 0.4521 0.079 Uiso 1 1 calc R
C34 C 0.4708(6) 0.7431(6) 0.5778(5) 0.057(3) Uani 1 1 d .
H34A H 0.4679 0.7102 0.6104 0.068 Uiso 1 1 calc R
H34B H 0.4139 0.7720 0.5785 0.068 Uiso 1 1 calc R
C35 C 0.6143(7) 0.8699(6) 0.5547(5) 0.051(3) Uani 1 1 d .
C36 C 0.5336(8) 0.8845(7) 0.5053(6) 0.068(3) Uani 1 1 d .
H36 H 0.4686 0.8754 0.5110 0.082 Uiso 1 1 calc R
C37 C 0.5498(10) 0.9121(8) 0.4487(7) 0.093(4) Uani 1 1 d .
H37 H 0.4953 0.9200 0.4144 0.111 Uiso 1 1 calc R
C38 C 0.6478(11) 0.9287(9) 0.4416(7) 0.097(5) Uani 1 1 d .
H38 H 0.6587 0.9474 0.4026 0.117 Uiso 1 1 calc R
C39 C 0.7262(9) 0.9176(8) 0.4912(6) 0.094(4) Uani 1 1 d .
H39 H 0.7918 0.9297 0.4873 0.113 Uiso 1 1 calc R
C40 C 0.7095(8) 0.8883(6) 0.5482(5) 0.057(3) Uani 1 1 d .
H40 H 0.7644 0.8812 0.5827 0.069 Uiso 1 1 calc R
C41 C 0.5528(6) 0.9228(6) 0.7008(5) 0.043(2) Uani 1 1 d .
C42 C 0.5749(8) 1.0067(7) 0.7090(6) 0.060(3) Uani 1 1 d .
H42 H 0.6113 1.0191 0.6767 0.072 Uiso 1 1 calc R
C43 C 0.5462(10) 1.0715(9) 0.7614(8) 0.095(4) Uani 1 1 d .
H43 H 0.5647 1.1295 0.7662 0.114 Uiso 1 1 calc R
C44 C 0.4892(10) 1.0584(9) 0.8106(8) 0.112(5) Uani 1 1 d .
H44 H 0.4662 1.1045 0.8459 0.135 Uiso 1 1 calc R
C45 C 0.4687(9) 0.9675(10) 0.8022(8) 0.111(5) Uani 1 1 d .
H45 H 0.4336 0.9532 0.8344 0.134 Uiso 1 1 calc R
C46 C 0.5011(8) 0.9035(7) 0.7471(7) 0.077(3) Uani 1 1 d .
H46 H 0.4872 0.8447 0.7410 0.092 Uiso 1 1 calc R
C47 C 0.4673(16) 0.597(2) 0.8020(15) 0.189(11) Uani 1 1 d .
C48 C 0.1053(16) 0.0164(16) 0.6287(14) 0.167(10) Uani 1 1 d .
C49 C 0.8393(10) 0.1862(8) 0.6385(7) 0.108(5) Uani 1 1 d .
H49 H 0.8625 0.1302 0.6271 0.129 Uiso 1 1 calc R
C50 C 0.2069(10) 0.7012(9) 0.6400(7) 0.109(5) Uani 1 1 d .
H50 H 0.2725 0.7007 0.6735 0.131 Uiso 1 1 calc R
C51 C 0.1866(9) 0.0990(7) 0.9254(6) 0.090(4) Uani 1 1 d .
H51 H 0.1608 0.1179 0.8825 0.108 Uiso 1 1 calc R
O1 O 1.3142(7) 0.8378(6) 0.8868(6) 0.128(4) Uani 1 1 d .
O2 O 1.4017(7) 0.7034(8) 1.0449(6) 0.145(4) Uani 1 1 d .
O3 O 1.1529(7) 0.5460(6) 0.7905(5) 0.121(3) Uani 1 1 d .
O4 O 0.9940(8) 0.4904(6) 0.8834(6) 0.141(4) Uani 1 1 d .
O5 O 1.2328(8) 0.6599(8) 1.1381(6) 0.155(5) Uani 1 1 d .
O6 O 0.9266(7) 0.7168(6) 1.0777(5) 0.109(3) Uani 1 1 d .
O7 O 0.0635(9) 0.1084(6) 0.7709(5) 0.150(5) Uani 1 1 d .
O8 O 0.0224(6) -0.0502(5) 0.7086(5) 0.104(3) Uani 1 1 d .
O9 O -0.0725(7) 0.0285(7) 0.6498(6) 0.150(4) Uani 1 1 d .
O10 O 0.5747(6) 0.7105(6) 0.7784(5) 0.120(3) Uani 1 1 d .
O11 O 0.3975(7) 0.7041(7) 0.7622(5) 0.129(3) Uani 1 1 d .
O12 O 0.4529(7) 0.5878(6) 0.6665(4) 0.119(3) Uani 1 1 d .
P1 P 0.71513(18) 0.66241(15) 0.59699(13) 0.0416(6) Uani 1 1 d .
P2 P 0.59179(17) 0.83315(15) 0.62920(13) 0.0404(6) Uani 1 1 d .
Co1 Co 1.21581(10) 0.71763(9) 0.94150(7) 0.0586(4) Uani 1 1 d .
Co2 Co 1.09196(11) 0.67932(8) 1.00599(7) 0.0586(4) Uani 1 1 d .
Cl1 Cl 0.8148(4) 0.2002(3) 0.5521(2) 0.1657(19) Uani 1 1 d .
Cl2 Cl 0.9354(3) 0.2750(3) 0.7176(2) 0.1400(15) Uani 1 1 d .
Cl3 Cl 0.7338(4) 0.1773(4) 0.6682(3) 0.185(2) Uani 1 1 d .
Cl4 Cl 0.2073(5) 0.8127(3) 0.6615(3) 0.204(3) Uani 1 1 d .
Cl5 Cl 0.1149(3) 0.6644(4) 0.6727(3) 0.202(3) Uani 1 1 d .
Cl6 Cl 0.1993(3) 0.6423(3) 0.5423(2) 0.1347(15) Uani 1 1 d .
Cl7 Cl 0.2416(3) 0.0072(3) 0.8854(2) 0.1252(13) Uani 1 1 d .
Cl8 Cl 0.0871(3) 0.0665(2) 0.95694(19) 0.1065(11) Uani 1 1 d .
Cl9 Cl 0.2774(3) 0.1883(3) 1.0089(2) 0.1474(17) Uani 1 1 d .
F1 F 0.1915(9) 0.0350(11) 0.6771(10) 0.243(7) Uani 1 1 d .
F2 F 0.1090(8) 0.1000(6) 0.6259(5) 0.175(4) Uani 1 1 d .
F3 F 0.0683(15) -0.0405(8) 0.5649(7) 0.294(11) Uani 1 1 d .
F4 F 0.4933(9) 0.6532(9) 0.8855(6) 0.216(6) Uani 1 1 d .
F5 F 0.5402(13) 0.5526(12) 0.8021(11) 0.268(9) Uani 1 1 d .
F6 F 0.3864(10) 0.5473(8) 0.7887(8) 0.240(7) Uani 1 1 d .
S1 S 0.4747(2) 0.6564(2) 0.74814(19) 0.0732(9) Uani 1 1 d .
S2 S 0.0208(2) 0.0294(2) 0.69961(18) 0.0720(9) Uani 1 1 d .
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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N2 Pt1 N1 85.7(2) . 2_777
N2 Pt1 P2 172.7(2) . .
N1 Pt1 P2 89.17(19) 2_777 .
N2 Pt1 P1 88.54(19) . .
N1 Pt1 P1 172.0(2) 2_777 .
P2 Pt1 P1 97.02(9) . .
C10 N1 C11 119.1(7) . .
C10 N1 Pt1 122.9(6) . 2_777
C11 N1 Pt1 118.1(5) . 2_777
C1 N2 C5 117.9(7) . .
C1 N2 Pt1 118.3(6) . .
C5 N2 Pt1 123.5(6) . .
N2 C1 C2 122.4(8) . .
C1 C2 C3 120.3(8) . .
C4 C3 C2 115.4(8) . .
C4 C3 C6 124.5(8) . .
C2 C3 C6 120.2(8) . .
C5 C4 C3 121.9(8) . .
N2 C5 C4 122.0(8) . .
C7 C6 C3 138.6(8) . .
C7 C6 Co2 69.8(5) . .
C3 C6 Co2 138.7(6) . .
C7 C6 Co1 68.8(5) . .
C3 C6 Co1 133.7(6) . .
Co2 C6 Co1 78.1(3) . .
C6 C7 C8 139.5(8) . .
C6 C7 Co2 68.8(5) . .
C8 C7 Co2 135.8(6) . .
C6 C7 Co1 70.2(5) . .
C8 C7 Co1 135.6(6) . .
Co2 C7 Co1 78.2(3) . .
C9 C8 C12 117.2(8) . .
C9 C8 C7 122.5(8) . .
C12 C8 C7 120.3(8) . .
C8 C9 C10 120.7(8) . .
N1 C10 C9 121.7(8) . .
N1 C11 C12 120.7(8) . .
C8 C12 C11 120.6(8) . .
O5 C13 Co2 179.2(15) . .
O6 C14 Co2 178.3(12) . .
O4 C15 Co2 178.5(14) . .
O3 C16 Co1 172.5(12) . .
O1 C17 Co1 176.0(13) . .
O2 C18 Co1 174.3(13) . .
C20 C19 C24 120.4(10) . .
C20 C19 P1 121.9(8) . .
C24 C19 P1 117.6(8) . .
C19 C20 C21 118.1(12) . .
C22 C21 C20 122.5(15) . .
C21 C22 C23 118.2(14) . .
C24 C23 C22 120.7(14) . .
C23 C24 C19 120.0(12) . .
C26 C25 C30 119.3(9) . .
C26 C25 P1 119.7(7) . .
C30 C25 P1 121.0(7) . .
C27 C26 C25 118.1(10) . .
C26 C27 C28 123.0(10) . .
C29 C28 C27 118.9(11) . .
C28 C29 C30 119.8(11) . .
C29 C30 C25 120.8(10) . .
C32 C31 P1 114.2(6) . .
C33 C32 C31 114.0(8) . .
C32 C33 C34 116.8(7) . .
C33 C34 P2 116.2(6) . .
C40 C35 C36 119.0(9) . .
C40 C35 P2 121.4(8) . .
C36 C35 P2 119.5(8) . .
C37 C36 C35 119.9(10) . .
C36 C37 C38 120.2(11) . .
C39 C38 C37 119.8(11) . .
C38 C39 C40 120.0(11) . .
C35 C40 C39 121.0(10) . .
C42 C41 C46 120.5(10) . .
C42 C41 P2 121.5(8) . .
C46 C41 P2 118.1(8) . .
C43 C42 C41 121.0(11) . .
C42 C43 C44 123.3(13) . .
C43 C44 C45 114.5(13) . .
C46 C45 C44 119.1(12) . .
C41 C46 C45 121.5(11) . .
F6 C47 F5 109(3) . .
F6 C47 F4 102.8(18) . .
F5 C47 F4 99.2(19) . .
F6 C47 S1 120.3(18) . .
F5 C47 S1 111.7(16) . .
F4 C47 S1 112(2) . .
F3 C48 F1 130(3) . .
F3 C48 F2 110(2) . .
F1 C48 F2 98.2(14) . .
F3 C48 S2 113.0(15) . .
F1 C48 S2 101.9(15) . .
F2 C48 S2 98.5(17) . .
Cl3 C49 Cl1 111.2(8) . .
Cl3 C49 Cl2 109.8(8) . .
Cl1 C49 Cl2 110.7(7) . .
Cl6 C50 Cl5 116.6(8) . .
Cl6 C50 Cl4 110.2(7) . .
Cl5 C50 Cl4 107.3(9) . .
Cl8 C51 Cl9 109.4(6) . .
Cl8 C51 Cl7 109.0(6) . .
Cl9 C51 Cl7 109.7(7) . .
C25 P1 C31 104.4(4) . .
C25 P1 C19 104.0(5) . .
C31 P1 C19 103.3(4) . .
C25 P1 Pt1 111.6(3) . .
C31 P1 Pt1 118.9(3) . .
C19 P1 Pt1 113.2(3) . .
C41 P2 C35 105.6(4) . .
C41 P2 C34 101.1(4) . .
C35 P2 C34 107.2(4) . .
C41 P2 Pt1 109.7(3) . .
C35 P2 Pt1 114.6(3) . .
C34 P2 Pt1 117.1(3) . .
C17 Co1 C18 99.7(6) . .
C17 Co1 C16 99.7(5) . .
C18 Co1 C16 100.2(5) . .
C17 Co1 C7 101.0(5) . .
C18 Co1 C7 108.1(5) . .
C16 Co1 C7 141.3(5) . .
C17 Co1 C6 102.6(5) . .
C18 Co1 C6 144.9(5) . .
C16 Co1 C6 102.5(4) . .
C7 Co1 C6 41.0(3) . .
C17 Co1 Co2 149.9(5) . .
C18 Co1 Co2 99.6(4) . .
C16 Co1 Co2 99.3(4) . .
C7 Co1 Co2 50.9(3) . .
C6 Co1 Co2 50.4(3) . .
C14 Co2 C13 99.2(6) . .
C14 Co2 C15 98.9(5) . .
C13 Co2 C15 102.8(5) . .
C14 Co2 C6 101.8(5) . .
C13 Co2 C6 142.4(5) . .
C15 Co2 C6 104.2(4) . .
C14 Co2 C7 102.1(4) . .
C13 Co2 C7 103.8(4) . .
C15 Co2 C7 142.7(4) . .
C6 Co2 C7 41.4(3) . .
C14 Co2 Co1 150.8(4) . .
C13 Co2 Co1 98.5(5) . .
C15 Co2 Co1 99.6(4) . .
C6 Co2 Co1 51.5(3) . .
C7 Co2 Co1 50.9(2) . .
O10 S1 O11 115.3(6) . .
O10 S1 O12 112.3(6) . .
O11 S1 O12 114.7(6) . .
O10 S1 C47 108.0(8) . .
O11 S1 C47 102.2(10) . .
O12 S1 C47 102.7(11) . .
O7 S2 O9 114.3(7) . .
O7 S2 O8 115.5(5) . .
O9 S2 O8 114.4(5) . .
O7 S2 C48 109.2(8) . .
O9 S2 C48 101.7(8) . .
O8 S2 C48 99.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N2 2.080(7) .
Pt1 N1 2.093(6) 2_777
Pt1 P2 2.269(2) .
Pt1 P1 2.277(2) .
N1 C10 1.313(10) .
N1 C11 1.323(9) .
N1 Pt1 2.093(6) 2_777
N2 C1 1.319(9) .
N2 C5 1.332(10) .
C1 C2 1.365(10) .
C2 C3 1.391(11) .
C3 C4 1.365(10) .
C3 C6 1.454(11) .
C4 C5 1.350(10) .
C6 C7 1.372(10) .
C6 Co2 1.935(9) .
C6 Co1 1.966(9) .
C7 C8 1.468(10) .
C7 Co2 1.947(8) .
C7 Co1 1.949(8) .
C8 C9 1.337(11) .
C8 C12 1.369(10) .
C9 C10 1.396(11) .
C11 C12 1.399(11) .
C13 O5 1.097(11) .
C13 Co2 1.829(12) .
C14 O6 1.088(13) .
C14 Co2 1.813(14) .
C15 O4 1.115(11) .
C15 Co2 1.837(12) .
C16 O3 1.101(10) .
C16 Co1 1.839(11) .
C17 O1 1.220(13) .
C17 Co1 1.694(14) .
C18 O2 1.105(12) .
C18 Co1 1.837(13) .
C19 C20 1.315(13) .
C19 C24 1.404(12) .
C19 P1 1.810(10) .
C20 C21 1.372(15) .
C21 C22 1.345(17) .
C22 C23 1.365(18) .
C23 C24 1.315(14) .
C25 C26 1.379(11) .
C25 C30 1.392(11) .
C25 P1 1.788(9) .
C26 C27 1.333(14) .
C27 C28 1.379(15) .
C28 C29 1.349(15) .
C29 C30 1.353(12) .
C31 C32 1.515(11) .
C31 P1 1.803(7) .
C32 C33 1.477(12) .
C33 C34 1.547(11) .
C34 P2 1.864(8) .
C35 C40 1.357(12) .
C35 C36 1.389(12) .
C35 P2 1.793(9) .
C36 C37 1.353(12) .
C37 C38 1.395(16) .
C38 C39 1.338(15) .
C39 C40 1.382(11) .
C41 C42 1.332(11) .
C41 C46 1.338(12) .
C41 P2 1.787(9) .
C42 C43 1.302(15) .
C43 C44 1.394(16) .
C44 C45 1.444(16) .
C45 C46 1.351(14) .
C47 F6 1.221(19) .
C47 F5 1.32(3) .
C47 F4 1.38(2) .
C47 S1 1.67(2) .
C48 F3 1.13(2) .
C48 F1 1.24(2) .
C48 F2 1.41(2) .
C48 S2 1.91(2) .
C49 Cl3 1.680(14) .
C49 Cl1 1.680(11) .
C49 Cl2 1.733(11) .
C50 Cl6 1.648(12) .
C50 Cl5 1.677(13) .
C50 Cl4 1.734(13) .
C51 Cl8 1.720(12) .
C51 Cl9 1.733(10) .
C51 Cl7 1.756(12) .
O7 S2 1.374(7) .
O8 S2 1.402(7) .
O9 S2 1.402(8) .
O10 S1 1.405(8) .
O11 S1 1.414(9) .
O12 S1 1.416(7) .
Co1 Co2 2.457(2) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N1 Pt1 N2 C1 101.5(6) 2_777
P2 Pt1 N2 C1 55.4(18) .
P1 Pt1 N2 C1 -84.1(5) .
N1 Pt1 N2 C5 -71.5(7) 2_777
P2 Pt1 N2 C5 -117.6(15) .
P1 Pt1 N2 C5 102.9(6) .
C5 N2 C1 C2 -5.2(12) .
Pt1 N2 C1 C2 -178.6(6) .
N2 C1 C2 C3 3.8(13) .
C1 C2 C3 C4 -0.7(12) .
C1 C2 C3 C6 178.0(7) .
C2 C3 C4 C5 -0.8(13) .
C6 C3 C4 C5 -179.4(8) .
C1 N2 C5 C4 3.5(12) .
Pt1 N2 C5 C4 176.6(6) .
C3 C4 C5 N2 -0.6(14) .
C4 C3 C6 C7 65.8(15) .
C2 C3 C6 C7 -112.8(12) .
C4 C3 C6 Co2 -174.3(7) .
C2 C3 C6 Co2 7.1(14) .
C4 C3 C6 Co1 -43.4(12) .
C2 C3 C6 Co1 138.0(8) .
C3 C6 C7 C8 5(2) .
Co2 C6 C7 C8 -136.9(12) .
Co1 C6 C7 C8 138.4(12) .
C3 C6 C7 Co2 142.4(12) .
Co1 C6 C7 Co2 -84.6(3) .
C3 C6 C7 Co1 -133.0(12) .
Co2 C6 C7 Co1 84.6(3) .
C6 C7 C8 C9 -71.8(15) .
Co2 C7 C8 C9 174.2(8) .
Co1 C7 C8 C9 45.0(13) .
C6 C7 C8 C12 104.6(13) .
Co2 C7 C8 C12 -9.4(14) .
Co1 C7 C8 C12 -138.6(8) .
C12 C8 C9 C10 1.4(14) .
C7 C8 C9 C10 177.9(9) .
C11 N1 C10 C9 1.4(14) .
Pt1 N1 C10 C9 -178.4(7) 2_777
C8 C9 C10 N1 -2.7(16) .
C10 N1 C11 C12 0.9(13) .
Pt1 N1 C11 C12 -179.3(7) 2_777
C9 C8 C12 C11 0.9(14) .
C7 C8 C12 C11 -175.8(8) .
N1 C11 C12 C8 -2.1(14) .
C24 C19 C20 C21 0.2(15) .
P1 C19 C20 C21 178.7(7) .
C19 C20 C21 C22 0.3(17) .
C20 C21 C22 C23 -0.4(19) .
C21 C22 C23 C24 0(2) .
C22 C23 C24 C19 0.4(17) .
C20 C19 C24 C23 -0.5(14) .
P1 C19 C24 C23 -179.1(8) .
C30 C25 C26 C27 -0.3(17) .
P1 C25 C26 C27 179.0(10) .
C25 C26 C27 C28 3(2) .
C26 C27 C28 C29 -5(2) .
C27 C28 C29 C30 3(2) .
C28 C29 C30 C25 -0.4(19) .
C26 C25 C30 C29 -1.1(16) .
P1 C25 C30 C29 179.7(9) .
P1 C31 C32 C33 -110.3(8) .
C31 C32 C33 C34 53.8(11) .
C32 C33 C34 P2 44.3(11) .
C40 C35 C36 C37 3.5(15) .
P2 C35 C36 C37 -179.9(8) .
C35 C36 C37 C38 -2.1(18) .
C36 C37 C38 C39 0(2) .
C37 C38 C39 C40 1(2) .
C36 C35 C40 C39 -2.7(15) .
P2 C35 C40 C39 -179.2(8) .
C38 C39 C40 C35 0.4(18) .
C46 C41 C42 C43 -0.5(16) .
P2 C41 C42 C43 -180.0(9) .
C41 C42 C43 C44 -1.7(19) .
C42 C43 C44 C45 3.2(19) .
C43 C44 C45 C46 -2.7(19) .
C42 C41 C46 C45 0.8(17) .
P2 C41 C46 C45 -179.7(10) .
C44 C45 C46 C41 0.9(19) .
C26 C25 P1 C31 -32.3(9) .
C30 C25 P1 C31 146.9(8) .
C26 C25 P1 C19 75.7(9) .
C30 C25 P1 C19 -105.1(8) .
C26 C25 P1 Pt1 -162.0(7) .
C30 C25 P1 Pt1 17.2(9) .
C32 C31 P1 C25 -59.9(8) .
C32 C31 P1 C19 -168.3(7) .
C32 C31 P1 Pt1 65.3(7) .
C20 C19 P1 C25 20.3(9) .
C24 C19 P1 C25 -161.0(6) .
C20 C19 P1 C31 129.1(8) .
C24 C19 P1 C31 -52.3(7) .
C20 C19 P1 Pt1 -101.0(8) .
C24 C19 P1 Pt1 77.7(7) .
N2 Pt1 P1 C25 -90.1(4) .
N1 Pt1 P1 C25 -46.0(14) 2_777
P2 Pt1 P1 C25 94.7(3) .
N2 Pt1 P1 C31 148.2(4) .
N1 Pt1 P1 C31 -167.6(13) 2_777
P2 Pt1 P1 C31 -27.0(3) .
N2 Pt1 P1 C19 26.7(4) .
N1 Pt1 P1 C19 70.9(14) 2_777
P2 Pt1 P1 C19 -148.5(4) .
C42 C41 P2 C35 -21.1(9) .
C46 C41 P2 C35 159.4(8) .
C42 C41 P2 C34 -132.7(8) .
C46 C41 P2 C34 47.8(8) .
C42 C41 P2 Pt1 102.9(8) .
C46 C41 P2 Pt1 -76.6(8) .
C40 C35 P2 C41 113.1(8) .
C36 C35 P2 C41 -63.4(8) .
C40 C35 P2 C34 -139.7(8) .
C36 C35 P2 C34 43.8(9) .
C40 C35 P2 Pt1 -7.8(9) .
C36 C35 P2 Pt1 175.7(7) .
C33 C34 P2 C41 151.6(7) .
C33 C34 P2 C35 41.2(8) .
C33 C34 P2 Pt1 -89.2(7) .
N2 Pt1 P2 C41 22.0(16) .
N1 Pt1 P2 C41 -23.9(4) 2_777
P1 Pt1 P2 C41 161.2(3) .
N2 Pt1 P2 C35 140.7(15) .
N1 Pt1 P2 C35 94.7(4) 2_777
P1 Pt1 P2 C35 -80.2(3) .
N2 Pt1 P2 C34 -92.4(15) .
N1 Pt1 P2 C34 -138.3(4) 2_777
P1 Pt1 P2 C34 46.7(3) .
O1 C17 Co1 C18 17(16) .
O1 C17 Co1 C16 -85(16) .
O1 C17 Co1 C7 128(16) .
O1 C17 Co1 C6 170(15) .
O1 C17 Co1 Co2 147(15) .
O2 C18 Co1 C17 82(14) .
O2 C18 Co1 C16 -177(14) .
O2 C18 Co1 C7 -23(14) .
O2 C18 Co1 C6 -47(14) .
O2 C18 Co1 Co2 -75(14) .
O3 C16 Co1 C17 -120(9) .
O3 C16 Co1 C18 138(9) .
O3 C16 Co1 C7 2(9) .
O3 C16 Co1 C6 -15(9) .
O3 C16 Co1 Co2 37(9) .
C6 C7 Co1 C17 96.5(6) .
C8 C7 Co1 C17 -45.4(10) .
Co2 C7 Co1 C17 168.1(4) .
C6 C7 Co1 C18 -159.3(6) .
C8 C7 Co1 C18 58.7(10) .
Co2 C7 Co1 C18 -87.8(5) .
C6 C7 Co1 C16 -24.6(9) .
C8 C7 Co1 C16 -166.6(9) .
Co2 C7 Co1 C16 46.9(8) .
C8 C7 Co1 C6 -142.0(11) .
Co2 C7 Co1 C6 71.5(5) .
C6 C7 Co1 Co2 -71.5(5) .
C8 C7 Co1 Co2 146.5(10) .
C7 C6 Co1 C17 -92.4(6) .
C3 C6 Co1 C17 45.5(9) .
Co2 C6 Co1 C17 -165.2(4) .
C7 C6 Co1 C18 35.6(10) .
C3 C6 Co1 C18 173.6(9) .
Co2 C6 Co1 C18 -37.1(9) .
C7 C6 Co1 C16 164.5(6) .
C3 C6 Co1 C16 -57.5(9) .
Co2 C6 Co1 C16 91.8(4) .
C3 C6 Co1 C7 137.9(11) .
Co2 C6 Co1 C7 -72.7(5) .
C7 C6 Co1 Co2 72.7(5) .
C3 C6 Co1 Co2 -149.3(9) .
O6 C14 Co2 C13 -144(45) .
O6 C14 Co2 C15 -40(45) .
O6 C14 Co2 C6 67(45) .
O6 C14 Co2 C7 109(45) .
O6 C14 Co2 Co1 89(45) .
O5 C13 Co2 C14 -4(87) .
O5 C13 Co2 C15 -105(87) .
O5 C13 Co2 C6 119(87) .
O5 C13 Co2 C7 101(87) .
O5 C13 Co2 Co1 153(87) .
O4 C15 Co2 C14 4(44) .
O4 C15 Co2 C13 105(44) .
O4 C15 Co2 C6 -101(44) .
O4 C15 Co2 C7 -120(43) .
O4 C15 Co2 Co1 -154(44) .
C7 C6 Co2 C14 94.9(6) .
C3 C6 Co2 C14 -47.4(10) .
Co1 C6 Co2 C14 166.5(4) .
C7 C6 Co2 C13 -27.8(10) .
C3 C6 Co2 C13 -170.1(9) .
Co1 C6 Co2 C13 43.8(8) .
C7 C6 Co2 C15 -162.6(6) .
C3 C6 Co2 C15 55.0(10) .
Co1 C6 Co2 C15 -91.0(5) .
C3 C6 Co2 C7 -142.3(12) .
Co1 C6 Co2 C7 71.6(5) .
C7 C6 Co2 Co1 -71.6(5) .
C3 C6 Co2 Co1 146.1(10) .
C6 C7 Co2 C14 -94.2(6) .
C8 C7 Co2 C14 46.3(10) .
Co1 C7 Co2 C14 -167.3(4) .
C6 C7 Co2 C13 163.0(6) .
C8 C7 Co2 C13 -56.5(10) .
Co1 C7 Co2 C13 89.9(5) .
C6 C7 Co2 C15 28.6(10) .
C8 C7 Co2 C15 169.1(10) .
Co1 C7 Co2 C15 -44.5(9) .
C8 C7 Co2 C6 140.5(12) .
Co1 C7 Co2 C6 -73.1(5) .
C6 C7 Co2 Co1 73.1(5) .
C8 C7 Co2 Co1 -146.4(10) .
C17 Co1 Co2 C14 2.1(10) .
C18 Co1 Co2 C14 131.5(8) .
C16 Co1 Co2 C14 -126.4(8) .
C7 Co1 Co2 C14 26.0(7) .
C6 Co1 Co2 C14 -27.9(7) .
C17 Co1 Co2 C13 -124.8(8) .
C18 Co1 Co2 C13 4.6(5) .
C16 Co1 Co2 C13 106.7(5) .
C7 Co1 Co2 C13 -100.9(5) .
C6 Co1 Co2 C13 -154.7(5) .
C17 Co1 Co2 C15 130.5(8) .
C18 Co1 Co2 C15 -100.0(6) .
C16 Co1 Co2 C15 2.0(5) .
C7 Co1 Co2 C15 154.5(5) .
C6 Co1 Co2 C15 100.6(5) .
C17 Co1 Co2 C6 30.0(8) .
C18 Co1 Co2 C6 159.4(5) .
C16 Co1 Co2 C6 -98.6(5) .
C7 Co1 Co2 C6 53.9(4) .
C17 Co1 Co2 C7 -23.9(8) .
C18 Co1 Co2 C7 105.5(5) .
C16 Co1 Co2 C7 -152.4(5) .
C6 Co1 Co2 C7 -53.9(4) .
F6 C47 S1 O10 178(2) .
F5 C47 S1 O10 -53(3) .
F4 C47 S1 O10 57.0(19) .
F6 C47 S1 O11 56(3) .
F5 C47 S1 O11 -175(2) .
F4 C47 S1 O11 -64.9(17) .
F6 C47 S1 O12 -63(3) .
F5 C47 S1 O12 66(2) .
F4 C47 S1 O12 175.9(15) .
F3 C48 S2 O7 -170(2) .
F1 C48 S2 O7 46(2) .
F2 C48 S2 O7 -54.3(14) .
F3 C48 S2 O9 -49(2) .
F1 C48 S2 O9 167.2(16) .
F2 C48 S2 O9 66.8(12) .
F3 C48 S2 O8 69(2) .
F1 C48 S2 O8 -75.3(18) .
F2 C48 S2 O8 -175.6(11) .
