#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/57/7035797.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_7035797
loop_
_publ_author_name
'Zigon, Nicolas'
'Kyritsakas, Nathalie'
'Hosseini, Mir Wais'
_publ_section_title
;
 Molecular tectonics: heterometallic coordination networks based on a
 Pt(ii) organometallic metallatecton.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14204
_journal_page_last               14207
_journal_paper_doi               10.1039/c5dt02404h
_journal_volume                  44
_journal_year                    2015
_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
_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
_audit_update_record
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                89.7140(10)
_cell_angle_beta                 86.0250(10)
_cell_angle_gamma                81.0480(10)
_cell_formula_units_Z            2
_cell_length_a                   11.0755(2)
_cell_length_b                   17.2285(3)
_cell_length_c                   30.5221(6)
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.41
_cell_measurement_theta_min      2.20
_cell_volume                     5739.17(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0678
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            30865
_diffrn_reflns_theta_full        30.33
_diffrn_reflns_theta_max         29.33
_diffrn_reflns_theta_min         0.67
_exptl_absorpt_coefficient_mu    2.789
_exptl_absorpt_correction_T_max  0.8731
_exptl_absorpt_correction_T_min  0.8505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2138
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_platon_squeeze_details          ' '
_refine_diff_density_max         1.647
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1198
_refine_ls_number_reflns         30865
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.055
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1267P)²+0.0100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1987
_refine_ls_wR_factor_ref         0.2118
_reflns_number_gt                22151
_reflns_number_total             30865
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02404h2.cif
_cod_data_source_block           e2887a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035795--7035799.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035797
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
_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 . .
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'
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 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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_
_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 ' '
