#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:17:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179103 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/65/4306596.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_4306596
loop_
_publ_author_name
'Suman Mukhopadhyay'
'Bhaswati Ghosh Mukhopadhyay'
'M. Fátima C. Guedes da Silva'
'Jamal Lasri'
'M. Adília Januário Charmier'
'Armando J. L. Pombeiro'
_publ_section_title
;
PtII-Promoted [2 + 3] Cycloaddition of Azide to Cyanopyridines: Convenient
Tool toward Heterometallic Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11334
_journal_page_last               11341
_journal_paper_doi               10.1021/ic8014223
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C96 H76 Cu N20 P4 Pt2'
_chemical_formula_sum            'C96 H76 Cu N20 P4 Pt2'
_chemical_formula_weight         2087.37
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.0000(15)
_cell_length_b                   17.1351(10)
_cell_length_c                   21.9480(13)
_cell_measurement_reflns_used    5385
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.66
_cell_volume                     10154.2(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0492
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            39880
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    3.071
_exptl_absorpt_correction_T_max  0.7488
_exptl_absorpt_correction_T_min  0.6559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4148
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         0.728
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         9235
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0315
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+2.2413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0777
_reflns_number_gt                6786
_reflns_number_total             9235
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8014223_si_001_3.cif
_cod_data_source_block           comp4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        10154.1(10)
_cod_database_code               4306596
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'
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
C1 C 0.14664(14) 0.3320(2) 0.69323(19) 0.0179(9) Uani 1 1 d . . .
C2 C 0.15236(16) -0.1200(2) 0.7264(2) 0.0205(10) Uani 1 1 d . . .
C11 C 0.11435(15) 0.3967(2) 0.7087(2) 0.0217(9) Uani 1 1 d . . .
C12 C 0.11332(16) 0.4642(2) 0.6740(2) 0.0274(11) Uani 1 1 d . . .
H12 H 0.1347 0.4695 0.6399 0.033 Uiso 1 1 calc R . .
C13 C 0.08161(16) 0.5229(3) 0.6888(2) 0.0291(11) Uani 1 1 d . . .
H13 H 0.0805 0.5678 0.6633 0.035 Uiso 1 1 calc R . .
C14 C 0.05328(15) 0.4560(2) 0.7727(2) 0.0226(10) Uani 1 1 d . . .
H14 H 0.0328 0.4532 0.8078 0.027 Uiso 1 1 calc R . .
C15 C 0.08353(14) 0.3941(2) 0.7594(2) 0.0209(9) Uani 1 1 d . . .
H15 H 0.0835 0.3493 0.7849 0.025 Uiso 1 1 calc R . .
C21 C 0.11727(15) -0.1846(2) 0.7296(2) 0.0213(9) Uani 1 1 d . . .
C22 C 0.12530(16) -0.2450(2) 0.7705(2) 0.0265(10) Uani 1 1 d . . .
H22 H 0.1536 -0.2448 0.7961 0.032 Uiso 1 1 calc R . .
C23 C 0.09156(16) 0.6946(3) 0.7733(2) 0.0290(11) Uani 1 1 d . . .
H23 H 0.0972 0.6536 0.8016 0.035 Uiso 1 1 calc R . .
C24 C 0.04355(15) 0.7505(2) 0.6985(2) 0.0254(10) Uani 1 1 d . . .
H24 H 0.0151 0.7490 0.6731 0.030 Uiso 1 1 calc R . .
C25 C 0.07534(15) -0.1871(2) 0.6936(2) 0.0239(10) Uani 1 1 d . . .
H25 H 0.0685 -0.1461 0.6657 0.029 Uiso 1 1 calc R . .
C31 C 0.24521(15) 0.0903(2) 0.8387(2) 0.0224(10) Uani 1 1 d . . .
C32 C 0.28433(16) 0.0666(2) 0.8025(2) 0.0259(10) Uani 1 1 d . . .
H32 H 0.2794 0.0597 0.7600 0.031 Uiso 1 1 calc R . .
C33 C 0.33014(17) 0.0529(3) 0.8273(3) 0.0347(12) Uani 1 1 d . . .
H33 H 0.3566 0.0362 0.8019 0.042 Uiso 1 1 calc R . .
C34 C 0.33805(18) 0.0631(3) 0.8882(3) 0.0413(14) Uani 1 1 d . . .
H34 H 0.3700 0.0542 0.9049 0.050 Uiso 1 1 calc R . .
C35 C 0.29889(18) 0.0868(3) 0.9260(2) 0.0360(13) Uani 1 1 d . . .
H35 H 0.3043 0.0941 0.9684 0.043 Uiso 1 1 calc R . .
C36 C 0.25256(17) 0.0995(2) 0.9015(2) 0.0285(10) Uani 1 1 d . . .
H36 H 0.2258 0.1143 0.9270 0.034 Uiso 1 1 calc R . .
C41 C 0.27126(14) 0.0954(2) 0.58645(18) 0.0181(9) Uani 1 1 d . . .
C42 C 0.29827(16) 0.1478(2) 0.6224(2) 0.0222(10) Uani 1 1 d . . .
H42 H 0.2824 0.1752 0.6546 0.027 Uiso 1 1 calc R . .
C43 C 0.34814(16) 0.1596(3) 0.6108(2) 0.0277(11) Uani 1 1 d . . .
H43 H 0.3660 0.1967 0.6343 0.033 Uiso 1 1 calc R . .
C44 C 0.37186(16) 0.1189(3) 0.5663(2) 0.0303(11) Uani 1 1 d . . .
H44 H 0.4060 0.1275 0.5586 0.036 Uiso 1 1 calc R . .
C45 C 0.34543(16) 0.0641(3) 0.5320(2) 0.0303(11) Uani 1 1 d . . .
H45 H 0.3620 0.0340 0.5019 0.036 Uiso 1 1 calc R . .
C46 C 0.29535(16) 0.0534(3) 0.5416(2) 0.0247(10) Uani 1 1 d . . .
H46 H 0.2774 0.0171 0.5174 0.030 Uiso 1 1 calc R . .
C51 C 0.13912(15) 0.0488(2) 0.8359(2) 0.0215(10) Uani 1 1 d . . .
C52 C 0.14949(18) -0.0134(3) 0.8734(2) 0.0306(11) Uani 1 1 d . . .
H52 H 0.1824 -0.0218 0.8874 0.037 Uiso 1 1 calc R . .
C53 C 0.1118(2) -0.0639(3) 0.8908(3) 0.0467(14) Uani 1 1 d . . .
H53 H 0.1189 -0.1068 0.9167 0.056 Uiso 1 1 calc R . .
C54 C 0.0646(2) -0.0522(3) 0.8709(3) 0.0458(15) Uani 1 1 d . . .
H54 H 0.0390 -0.0865 0.8838 0.055 Uiso 1 1 calc R . .
C55 C 0.05362(18) 0.0079(3) 0.8327(3) 0.0449(14) Uani 1 1 d . . .
H55 H 0.0208 0.0149 0.8182 0.054 Uiso 1 1 calc R . .
C56 C 0.09087(17) 0.0586(3) 0.8155(2) 0.0337(12) Uani 1 1 d . . .
H56 H 0.0833 0.1009 0.7892 0.040 Uiso 1 1 calc R . .
C61 C 0.17812(15) 0.1562(2) 0.5453(2) 0.0209(10) Uani 1 1 d . . .
C62 C 0.13098(15) 0.1861(2) 0.5584(2) 0.0245(10) Uani 1 1 d . . .
H62 H 0.1146 0.1717 0.5950 0.029 Uiso 1 1 calc R . .
C63 C 0.10796(17) 0.2374(3) 0.5173(2) 0.0357(12) Uani 1 1 d . . .
H63 H 0.0759 0.2576 0.5257 0.043 Uiso 1 1 calc R . .
C64 C 0.13258(19) 0.2581(3) 0.4643(2) 0.0413(13) Uani 1 1 d . . .
H64 H 0.1174 0.2929 0.4363 0.050 Uiso 1 1 calc R . .
C65 C 0.17905(18) 0.2285(3) 0.4520(2) 0.0404(13) Uani 1 1 d . . .
H65 H 0.1955 0.2432 0.4156 0.049 Uiso 1 1 calc R . .
C66 C 0.20174(17) 0.1781(3) 0.4917(2) 0.0292(11) Uani 1 1 d . . .
H66 H 0.2337 0.1582 0.4826 0.035 Uiso 1 1 calc R . .
C71 C 0.17451(16) 0.2103(2) 0.8390(2) 0.0225(10) Uani 1 1 d . . .
C72 C 0.13628(18) 0.2261(3) 0.8785(2) 0.0282(11) Uani 1 1 d . . .
H72 H 0.1129 0.1866 0.8884 0.034 Uiso 1 1 calc R . .
C73 C 0.13194(19) 0.3003(3) 0.9041(2) 0.0368(12) Uani 1 1 d . . .
H73 H 0.1058 0.3113 0.9317 0.044 Uiso 1 1 calc R . .
C74 C 0.1657(2) 0.3578(3) 0.8891(2) 0.0407(13) Uani 1 1 d . . .
H74 H 0.1628 0.4082 0.9067 0.049 Uiso 1 1 calc R . .
C75 C 0.2036(2) 0.3421(3) 0.8488(2) 0.0358(12) Uani 1 1 d . . .
H75 H 0.2262 0.3823 0.8380 0.043 Uiso 1 1 calc R . .
C76 C 0.20881(18) 0.2691(3) 0.8241(2) 0.0283(11) Uani 1 1 d . . .
H76 H 0.2354 0.2583 0.7970 0.034 Uiso 1 1 calc R . .
C81 C 0.18783(15) -0.0088(2) 0.56913(18) 0.0185(9) Uani 1 1 d . . .
C82 C 0.21531(16) -0.0740(2) 0.5852(2) 0.0236(10) Uani 1 1 d . . .
H82 H 0.2447 -0.0681 0.6086 0.028 Uiso 1 1 calc R . .
C83 C 0.20014(18) -0.1476(3) 0.5673(2) 0.0301(11) Uani 1 1 d . . .
H83 H 0.2195 -0.1921 0.5772 0.036 Uiso 1 1 calc R . .
C84 C 0.15677(19) -0.1560(3) 0.5349(2) 0.0339(12) Uani 1 1 d . . .
H84 H 0.1462 -0.2066 0.5229 0.041 Uiso 1 1 calc R . .
C85 C 0.12861(19) -0.0920(3) 0.5199(2) 0.0351(12) Uani 1 1 d . . .
H85 H 0.0986 -0.0984 0.4979 0.042 Uiso 1 1 calc R . .
C86 C 0.14409(16) -0.0184(3) 0.5369(2) 0.0246(10) Uani 1 1 d . . .
H86 H 0.1247 0.0259 0.5264 0.029 Uiso 1 1 calc R . .
N1 N 0.13892(12) 0.25867(19) 0.71142(15) 0.0184(8) Uani 1 1 d . . .
N2 N 0.14233(12) -0.04976(19) 0.70408(16) 0.0192(8) Uani 1 1 d . . .
N11 N 0.17901(12) 0.22068(19) 0.68942(15) 0.0175(8) Uani 1 1 d . . .
N12 N 0.20860(13) 0.2681(2) 0.65923(17) 0.0253(9) Uani 1 1 d . . .
N13 N 0.18885(13) 0.33907(19) 0.66098(17) 0.0248(8) Uani 1 1 d . . .
N14 N 0.05157(12) 0.52032(19) 0.73803(17) 0.0235(8) Uani 1 1 d . . .
N21 N 0.18458(12) -0.0106(2) 0.71312(15) 0.0184(8) Uani 1 1 d . . .
N22 N 0.21841(13) -0.0550(2) 0.73926(17) 0.0247(9) Uani 1 1 d . . .
N23 N 0.19865(13) -0.12487(19) 0.74792(18) 0.0255(9) Uani 1 1 d . . .
N24 N 0.05097(12) 0.69162(19) 0.73772(17) 0.0225(8) Uani 1 1 d . . .
P1 P 0.18506(4) 0.11496(6) 0.80623(5) 0.0188(2) Uani 1 1 d . . .
P2 P 0.20453(4) 0.08691(6) 0.59788(5) 0.0174(2) Uani 1 1 d . . .
Cu1 Cu 0.0000 0.60570(4) 0.7500 0.02576(19) Uani 1 2 d S . .
Pt1 Pt 0.186876(5) 0.105414(8) 0.700480(7) 0.01495(6) 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
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 C1 N13 112.0(3) . . ?
N1 C1 C11 123.8(4) . . ?
N13 C1 C11 124.2(3) . . ?
N2 C2 N23 112.1(4) . . ?
N2 C2 C21 125.0(4) . . ?
N23 C2 C21 122.9(4) . . ?
C12 C11 C15 117.1(4) . . ?
C12 C11 C1 121.5(4) . . ?
C15 C11 C1 121.4(4) . . ?
C13 C12 C11 119.9(4) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
N14 C13 C12 123.0(4) . . ?
N14 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
N14 C14 C15 122.4(4) . . ?
N14 C14 H14 118.8 . . ?
C15 C14 H14 118.8 . . ?
C14 C15 C11 120.1(4) . . ?
C14 C15 H15 119.9 . . ?
C11 C15 H15 119.9 . . ?
C25 C21 C22 118.3(4) . . ?
C25 C21 C2 122.0(4) . . ?
C22 C21 C2 119.7(4) . . ?
C23 C22 C21 119.1(4) 1_545 . ?
C23 C22 H22 120.5 1_545 . ?
C21 C22 H22 120.5 . . ?
N24 C23 C22 122.7(4) . 1_565 ?
N24 C23 H23 118.7 . . ?
C22 C23 H23 118.7 1_565 . ?
N24 C24 C25 122.8(4) . 1_565 ?
N24 C24 H24 118.6 . . ?
C25 C24 H24 118.6 1_565 . ?
C24 C25 C21 119.4(4) 1_545 . ?
C24 C25 H25 120.3 1_545 . ?
C21 C25 H25 120.3 . . ?
C32 C31 C36 119.4(4) . . ?
C32 C31 P1 121.5(3) . . ?
C36 C31 P1 119.0(3) . . ?
C33 C32 C31 120.7(5) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C34 C33 C32 120.5(5) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 119.9(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 119.8(5) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C31 119.7(4) . . ?
C35 C36 H36 120.2 . . ?
C31 C36 H36 120.2 . . ?
C46 C41 C42 119.3(4) . . ?
C46 C41 P2 121.4(3) . . ?
C42 C41 P2 119.2(3) . . ?
C43 C42 C41 119.8(4) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C44 C43 C42 120.9(4) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C43 C44 C45 119.4(4) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C46 C45 C44 120.4(4) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C41 120.1(4) . . ?
C45 C46 H46 120.0 . . ?
C41 C46 H46 120.0 . . ?
C52 C51 C56 118.5(4) . . ?
C52 C51 P1 124.3(3) . . ?
C56 C51 P1 117.0(3) . . ?
C51 C52 C53 119.8(5) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
C54 C53 C52 120.4(5) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C55 C54 C53 120.9(5) . . ?
C55 C54 H54 119.6 . . ?
C53 C54 H54 119.6 . . ?
C54 C55 C56 119.1(5) . . ?
C54 C55 H55 120.5 . . ?
C56 C55 H55 120.5 . . ?
C55 C56 C51 121.3(5) . . ?
C55 C56 H56 119.4 . . ?
C51 C56 H56 119.4 . . ?
C66 C61 C62 119.4(4) . . ?
C66 C61 P2 122.6(3) . . ?
C62 C61 P2 118.0(3) . . ?
C61 C62 C63 119.9(4) . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C64 C63 C62 119.1(4) . . ?
C64 C63 H63 120.4 . . ?
C62 C63 H63 120.4 . . ?
C65 C64 C63 120.4(5) . . ?
C65 C64 H64 119.8 . . ?
C63 C64 H64 119.8 . . ?
C66 C65 C64 120.9(5) . . ?
C66 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C65 C66 C61 120.2(4) . . ?
C65 C66 H66 119.9 . . ?
C61 C66 H66 119.9 . . ?
C72 C71 C76 120.0(4) . . ?
C72 C71 P1 123.2(3) . . ?
C76 C71 P1 116.8(3) . . ?
C71 C72 C73 119.7(5) . . ?
C71 C72 H72 120.1 . . ?
C73 C72 H72 120.1 . . ?
C74 C73 C72 120.0(5) . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C75 C74 C73 120.2(5) . . ?
C75 C74 H74 119.9 . . ?
C73 C74 H74 119.9 . . ?
C76 C75 C74 120.5(5) . . ?
C76 C75 H75 119.7 . . ?
C74 C75 H75 119.7 . . ?
C75 C76 C71 119.6(5) . . ?
C75 C76 H76 120.2 . . ?
C71 C76 H76 120.2 . . ?
C82 C81 C86 119.4(4) . . ?
C82 C81 P2 120.5(3) . . ?
C86 C81 P2 119.7(3) . . ?
C83 C82 C81 120.3(4) . . ?
C83 C82 H82 119.9 . . ?
C81 C82 H82 119.9 . . ?
C84 C83 C82 119.6(4) . . ?
C84 C83 H83 120.2 . . ?
C82 C83 H83 120.2 . . ?
C85 C84 C83 120.7(4) . . ?
C85 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C84 C85 C86 119.8(4) . . ?
C84 C85 H85 120.1 . . ?
C86 C85 H85 120.1 . . ?
C85 C86 C81 120.2(4) . . ?
C85 C86 H86 119.9 . . ?
C81 C86 H86 119.9 . . ?
C1 N1 N11 102.8(3) . . ?
C2 N2 N21 103.0(3) . . ?
N12 N11 N1 111.6(3) . . ?
N12 N11 Pt1 127.2(3) . . ?
N1 N11 Pt1 121.1(2) . . ?
N11 N12 N13 107.8(3) . . ?
N12 N13 C1 105.8(3) . . ?
C14 N14 C13 117.4(4) . . ?
C14 N14 Cu1 122.7(3) . . ?
C13 N14 Cu1 119.3(3) . . ?
N22 N21 N2 111.5(3) . . ?
N22 N21 Pt1 127.5(3) . . ?
N2 N21 Pt1 120.1(3) . . ?
N21 N22 N23 107.7(3) . . ?
N22 N23 C2 105.6(3) . . ?
C24 N24 C23 117.7(4) . . ?
C24 N24 Cu1 121.9(3) . . ?
C23 N24 Cu1 120.1(3) . . ?
C51 P1 C71 108.4(2) . . ?
C51 P1 C31 109.0(2) . . ?
C71 P1 C31 101.2(2) . . ?
C51 P1 Pt1 109.34(15) . . ?
C71 P1 Pt1 117.65(14) . . ?
C31 P1 Pt1 110.81(15) . . ?
C61 P2 C81 105.95(19) . . ?
C61 P2 C41 104.48(19) . . ?
C81 P2 C41 105.63(19) . . ?
C61 P2 Pt1 116.69(14) . . ?
C81 P2 Pt1 114.17(14) . . ?
C41 P2 Pt1 108.96(14) . . ?
N24 Cu1 N24 87.21(18) . 4_556 ?
N24 Cu1 N14 92.31(13) . . ?
N24 Cu1 N14 179.45(14) 4_556 . ?
N24 Cu1 N14 179.45(14) . 4_556 ?
N24 Cu1 N14 92.31(13) 4_556 4_556 ?
N14 Cu1 N14 88.17(18) . 4_556 ?
N11 Pt1 N21 172.09(13) . . ?
N11 Pt1 P2 92.22(10) . . ?
N21 Pt1 P2 90.29(10) . . ?
N11 Pt1 P1 92.83(10) . . ?
N21 Pt1 P1 86.05(10) . . ?
P2 Pt1 P1 168.66(4) . . ?
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
C1 N1 1.334(5) . ?
C1 N13 1.347(5) . ?
C1 C11 1.451(5) . ?
C2 N2 1.328(5) . ?
C2 N23 1.338(5) . ?
C2 C21 1.458(6) . ?
C11 C12 1.385(6) . ?
C11 C15 1.392(6) . ?
C12 C13 1.360(6) . ?
C12 H12 0.9500 . ?
C13 N14 1.353(5) . ?
C13 H13 0.9500 . ?
C14 N14 1.341(5) . ?
C14 C15 1.370(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C21 C25 1.381(6) . ?
C21 C22 1.387(6) . ?
C22 C23 1.379(6) 1_545 ?
C22 H22 0.9500 . ?
C23 N24 1.347(6) . ?
C23 C22 1.379(6) 1_565 ?
C23 H23 0.9500 . ?
C24 N24 1.341(5) . ?
C24 C25 1.375(6) 1_565 ?
C24 H24 0.9500 . ?
C25 C24 1.375(6) 1_545 ?
C25 H25 0.9500 . ?
C31 C32 1.383(6) . ?
C31 C36 1.400(6) . ?
C31 P1 1.823(4) . ?
C32 C33 1.372(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.364(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.405(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.379(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C46 1.382(6) . ?
C41 C42 1.400(6) . ?
C41 P2 1.825(4) . ?
C42 C43 1.385(6) . ?
C42 H42 0.9500 . ?
C43 C44 1.361(6) . ?
C43 H43 0.9500 . ?
C44 C45 1.399(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.381(6) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.375(6) . ?
C51 C56 1.388(6) . ?
C51 P1 1.802(4) . ?
C52 C53 1.390(7) . ?
C52 H52 0.9500 . ?
C53 C54 1.360(8) . ?
C53 H53 0.9500 . ?
C54 C55 1.360(7) . ?
C54 H54 0.9500 . ?
C55 C56 1.382(7) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C66 1.389(6) . ?
C61 C62 1.402(6) . ?
C61 P2 1.803(4) . ?
C62 C63 1.405(6) . ?
C62 H62 0.9500 . ?
C63 C64 1.386(7) . ?
C63 H63 0.9500 . ?
C64 C65 1.380(7) . ?
C64 H64 0.9500 . ?
C65 C66 1.371(6) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C71 C72 1.375(6) . ?
C71 C76 1.408(6) . ?
C71 P1 1.807(4) . ?
C72 C73 1.394(6) . ?
C72 H72 0.9500 . ?
C73 C74 1.381(7) . ?
C73 H73 0.9500 . ?
C74 C75 1.379(7) . ?
C74 H74 0.9500 . ?
C75 C76 1.370(6) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C81 C82 1.387(6) . ?
C81 C86 1.387(6) . ?
C81 P2 1.814(4) . ?
C82 C83 1.383(6) . ?
C82 H82 0.9500 . ?
C83 C84 1.377(6) . ?
C83 H83 0.9500 . ?
C84 C85 1.376(7) . ?
C84 H84 0.9500 . ?
C85 C86 1.380(6) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
N1 N11 1.352(4) . ?
N2 N21 1.338(4) . ?
N11 N12 1.318(5) . ?
N11 Pt1 2.001(3) . ?
N12 N13 1.329(5) . ?
N14 Cu1 2.037(3) . ?
N21 N22 1.319(5) . ?
N21 Pt1 2.009(3) . ?
N22 N23 1.325(5) . ?
N24 Cu1 2.033(3) . ?
P1 Pt1 2.3273(11) . ?
P2 Pt1 2.3235(11) . ?
Cu1 N24 2.033(3) 4_556 ?
Cu1 N14 2.037(3) 4_556 ?
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
1 0.000 -0.011 0.008 1123.1 149.0
2 0.500 0.001 0.020 1123.0 147.5
