#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/36/7023614.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_7023614
loop_
_publ_author_name
'Galstyan, Anzhela'
'Sanz Miguel, Pablo J.'
'Weise, Katrin'
'Lippert, Bernhard'
_publ_section_title
;
 Discrete and polymeric heteronuclear constructs derived from triangular
 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16151
_journal_page_last               16161
_journal_paper_doi               10.1039/c3dt51589c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C60 H96 Cu4 N36 O6 Pt6, 20(N O3), 22(H2 O)'
_chemical_formula_sum            'C60 H140 Cu4 N56 O88 Pt6'
_chemical_formula_weight         4478.98
_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_date             2009-02-26T17:30:55-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                98.906(3)
_cell_angle_beta                 108.024(3)
_cell_angle_gamma                115.872(3)
_cell_formula_units_Z            1
_cell_length_a                   14.7659(5)
_cell_length_b                   15.7964(6)
_cell_length_c                   17.9343(6)
_cell_measurement_reflns_used    13057
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.2485
_cell_measurement_theta_min      2.284
_cell_volume                     3367.6(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_molecular_graphics    'POV-Ray for Windows (version 3.6)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.84
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_unetI/netI     0.0997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30149
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.3
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    6.956
_exptl_absorpt_correction_T_max  0.249
_exptl_absorpt_correction_T_min  0.120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             2180
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         4.65
_refine_diff_density_min         -3.87
_refine_diff_density_rms         0.286
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         14061
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0849P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1408
_refine_ls_wR_factor_ref         0.1469
_reflns_number_gt                9454
_reflns_number_total             14061
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51589c.txt
_cod_data_source_block           1
_cod_original_cell_volume        3367.5(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7023614
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 0.89840(3) 0.19271(3) 0.37050(3) 0.01084(11) Uani 1 1 d .
Pt2 Pt 1.42521(3) 0.55806(3) 0.30940(3) 0.01209(11) Uani 1 1 d .
Pt3 Pt 1.24416(3) -0.00709(3) 0.25553(3) 0.01152(11) Uani 1 1 d .
Cu1 Cu 0.91007(11) 0.49173(10) 0.13550(9) 0.0171(3) Uani 1 1 d .
Cu2 Cu 0.66606(11) -0.21772(9) 0.02850(8) 0.0130(3) Uani 1 1 d .
N11 N 0.9766(8) 0.3062(6) 0.4785(5) 0.016(2) Uani 1 1 d .
H11A H 1.0341 0.3608 0.477 0.019 Uiso 1 1 calc R
H11B H 0.9278 0.3242 0.4862 0.019 Uiso 1 1 calc R
C12 C 1.0206(11) 0.2750(9) 0.5485(7) 0.024(3) Uani 1 1 d .
H12A H 1.0365 0.3198 0.602 0.029 Uiso 1 1 calc R
H12B H 1.0902 0.2781 0.5519 0.029 Uiso 1 1 calc R
C13 C 0.9333(11) 0.1699(8) 0.5317(7) 0.024(3) Uani 1 1 d .
H13A H 0.9629 0.142 0.572 0.029 Uiso 1 1 calc R
H13B H 0.8678 0.1684 0.5369 0.029 Uiso 1 1 calc R
N14 N 0.9014(7) 0.1105(6) 0.4452(5) 0.014(2) Uani 1 1 d .
H14A H 0.8324 0.0539 0.4254 0.016 Uiso 1 1 calc R
H14B H 0.9517 0.0909 0.4453 0.016 Uiso 1 1 calc R
N21 N 1.5755(7) 0.5746(7) 0.3692(6) 0.022(2) Uani 1 1 d .
H21A H 1.5687 0.5269 0.3943 0.026 Uiso 1 1 calc R
H21B H 1.6045 0.5669 0.3318 0.026 Uiso 1 1 calc R
C22 C 1.6488(10) 0.6746(9) 0.4319(8) 0.028(3) Uani 1 1 d .
H22A H 1.6715 0.7254 0.4048 0.034 Uiso 1 1 calc R
H22B H 1.7165 0.6793 0.471 0.034 Uiso 1 1 calc R
C23 C 1.5874(10) 0.6921(10) 0.4773(8) 0.028(3) Uani 1 1 d .
H23A H 1.6306 0.7626 0.5146 0.034 Uiso 1 1 calc R
H23B H 1.5758 0.6486 0.5119 0.034 Uiso 1 1 calc R
N24 N 1.4778(8) 0.6695(7) 0.4160(6) 0.025(3) Uani 1 1 d .
H24A H 1.4847 0.7259 0.4039 0.03 Uiso 1 1 calc R
H24B H 1.4267 0.6494 0.4382 0.03 Uiso 1 1 calc R
N31 N 1.4072(8) 0.0525(7) 0.3286(6) 0.022(2) Uani 1 1 d .
H31A H 1.4339 0.0178 0.3055 0.027 Uiso 1 1 calc R
H31B H 1.4465 0.118 0.3318 0.027 Uiso 1 1 calc R
C32 C 1.4228(9) 0.0479(10) 0.4113(8) 0.030(3) Uani 1 1 d .
H32A H 1.4216 0.1035 0.4443 0.036 Uiso 1 1 calc R
H32B H 1.4954 0.0539 0.4404 0.036 Uiso 1 1 calc R
C33 C 1.3284(10) -0.0524(9) 0.4022(8) 0.028(3) Uani 1 1 d .
H33A H 1.3353 -0.1082 0.3765 0.034 Uiso 1 1 calc R
H33B H 1.329 -0.0547 0.4572 0.034 Uiso 1 1 calc R
N34 N 1.2254(7) -0.0591(6) 0.3478(5) 0.014(2) Uani 1 1 d .
H34A H 1.207 -0.0228 0.3789 0.017 Uiso 1 1 calc R
H34B H 1.1681 -0.1247 0.3255 0.017 Uiso 1 1 calc R
N1A N 0.8983(7) 0.4059(7) 0.2080(5) 0.016(2) Uani 1 1 d .
C2A C 0.9884(9) 0.3996(8) 0.2435(7) 0.014(2) Uani 1 1 d .
C3A C 0.9897(9) 0.3377(8) 0.2886(7) 0.014(2) Uani 1 1 d .
H3AA H 1.054 0.3331 0.3109 0.017 Uiso 1 1 calc R
N4A N 0.8989(7) 0.2825(6) 0.3016(6) 0.013(2) Uani 1 1 d .
C5A C 0.8110(9) 0.2917(8) 0.2694(7) 0.0183(18) Uani 1 1 d .
H5AA H 0.7476 0.2552 0.2792 0.022 Uiso 1 1 calc R
C6A C 0.8088(9) 0.3521(8) 0.2224(7) 0.0183(18) Uani 1 1 d .
H6AA H 0.7441 0.3562 0.1998 0.022 Uiso 1 1 calc R
N1B N 1.0695(8) 0.5255(7) 0.1871(6) 0.020(2) Uani 1 1 d .
C2B C 1.0855(9) 0.4670(7) 0.2311(6) 0.0096(15) Uani 1 1 d .
C3B C 1.1871(8) 0.4757(7) 0.2643(6) 0.0096(15) Uani 1 1 d .
H3BA H 1.1962 0.4318 0.2925 0.012 Uiso 1 1 calc R
N4B N 1.2757(7) 0.5471(6) 0.2570(6) 0.015(2) Uani 1 1 d .
C5B C 1.2597(9) 0.6052(8) 0.2186(7) 0.019(3) Uani 1 1 d .
H5BA H 1.3215 0.6571 0.2154 0.023 Uiso 1 1 calc R
C6B C 1.1556(9) 0.5957(8) 0.1812(7) 0.019(3) Uani 1 1 d .
H6BA H 1.1471 0.639 0.1521 0.022 Uiso 1 1 calc R
N1C N 1.3659(7) 0.3263(6) 0.0696(5) 0.0117(19) Uani 1 1 d .
C2C C 1.3443(9) 0.2952(7) 0.1310(7) 0.013(2) Uani 1 1 d .
C3C C 1.3555(9) 0.3591(8) 0.1985(7) 0.017(2) Uani 1 1 d .
H3CA H 1.3396 0.3358 0.2412 0.02 Uiso 1 1 calc R
N4C N 1.3895(7) 0.4563(6) 0.2048(5) 0.013(2) Uani 1 1 d .
C5C C 1.4092(8) 0.4850(7) 0.1428(7) 0.013(2) Uani 1 1 d .
H5CA H 1.4327 0.5524 0.146 0.015 Uiso 1 1 calc R
C6C C 1.3969(9) 0.4211(8) 0.0748(7) 0.017(3) Uani 1 1 d .
H6CA H 1.4104 0.4438 0.0312 0.02 Uiso 1 1 calc R
N1D N 1.3057(7) 0.1398(6) 0.0504(5) 0.012(2) Uani 1 1 d .
C2D C 1.3130(8) 0.1904(7) 0.1194(7) 0.012(2) Uani 1 1 d .
C3D C 1.2955(8) 0.1482(8) 0.1795(7) 0.013(2) Uani 1 1 d .
H3DA H 1.3002 0.1858 0.2288 0.015 Uiso 1 1 calc R
N4D N 1.2718(7) 0.0530(6) 0.1671(5) 0.0105(19) Uani 1 1 d .
C5D C 1.2657(9) 0.0023(8) 0.0976(7) 0.014(2) Uani 1 1 d .
H5DA H 1.25 -0.0645 0.0886 0.017 Uiso 1 1 calc R
C6D C 1.2820(9) 0.0463(8) 0.0384(7) 0.016(2) Uani 1 1 d .
H6DA H 1.2761 0.009 -0.0116 0.019 Uiso 1 1 calc R
N1E N 0.8526(8) -0.1664(6) 0.0941(6) 0.017(2) Uani 1 1 d .
C2E C 0.9087(9) -0.0811(8) 0.1589(6) 0.013(2) Uani 1 1 d .
C3E C 1.0207(9) -0.0339(8) 0.2025(7) 0.014(2) Uani 1 1 d .
H3EA H 1.0584 0.0293 0.2449 0.017 Uiso 1 1 calc R
N4E N 1.0793(7) -0.0737(6) 0.1875(5) 0.0117(19) Uani 1 1 d .
C5E C 1.0251(9) -0.1607(8) 0.1229(7) 0.018(3) Uani 1 1 d .
H5EA H 1.0641 -0.1912 0.1102 0.021 Uiso 1 1 calc R
C6E C 0.9108(9) -0.2046(8) 0.0754(7) 0.018(3) Uani 1 1 d .
H6EA H 0.8734 -0.2635 0.0283 0.022 Uiso 1 1 calc R
N1F N 0.7322(8) -0.0928(7) 0.1305(5) 0.014(2) Uani 1 1 d .
C2F C 0.8399(9) -0.0426(7) 0.1782(6) 0.010(2) Uani 1 1 d .
C3F C 0.8871(9) 0.0412(8) 0.2472(7) 0.017(3) Uani 1 1 d .
H3FA H 0.9649 0.0762 0.281 0.02 Uiso 1 1 calc R
N4F N 0.8253(7) 0.0730(7) 0.2667(5) 0.015(2) Uani 1 1 d .
C5F C 0.7142(9) 0.0194(8) 0.2189(8) 0.022(3) Uani 1 1 d .
H5FA H 0.6674 0.0379 0.2339 0.026 Uiso 1 1 calc R
C6F C 0.6688(9) -0.0611(8) 0.1493(7) 0.014(2) Uani 1 1 d .
H6FA H 0.5917 -0.0947 0.114 0.016 Uiso 1 1 calc R
N1N N 1.5795(9) 0.8958(8) 0.3609(7) 0.030(3) Uani 1 1 d .
O11 O 1.5737(9) 0.8176(7) 0.3275(6) 0.047(3) Uani 1 1 d .
O12 O 1.6534(8) 0.9762(8) 0.3646(7) 0.056(3) Uani 1 1 d .
O13 O 1.5158(10) 0.8916(11) 0.3922(8) 0.073(4) Uani 1 1 d .
N2N N 1.3465(16) -0.1681(11) 0.1522(9) 0.057(3) Uani 1 1 d .
O21 O 1.2549(15) -0.1824(11) 0.1530(10) 0.100(4) Uani 1 1 d .
O22 O 1.4344(11) -0.0916(13) 0.1999(12) 0.117(5) Uani 1 1 d .
O23 O 1.3396(12) -0.2349(14) 0.0991(10) 0.122(5) Uani 1 1 d .
N3N N 0.7079(13) 0.4939(12) 0.0772(9) 0.056(3) Uani 1 1 d .
O31 O 0.7522(10) 0.4402(9) 0.0986(8) 0.064(3) Uani 1 1 d .
O32 O 0.6063(11) 0.4485(11) 0.0438(9) 0.082(3) Uani 1 1 d .
O33 O 0.7654(11) 0.5793(9) 0.0888(9) 0.077(3) Uani 1 1 d .
N4N N 1.2142(10) 0.2649(9) 0.3480(7) 0.037(2) Uani 1 1 d .
O41 O 1.2852(15) 0.3512(11) 0.3562(9) 0.105(4) Uani 1 1 d .
O42 O 1.2220(12) 0.1974(14) 0.3156(9) 0.115(5) Uani 1 1 d .
O43 O 1.1372(13) 0.2486(13) 0.3695(12) 0.115(4) Uani 1 1 d .
N5N N 0.8891(10) 0.5570(9) -0.0062(8) 0.034(3) Uani 1 1 d .
O51 O 0.9509(16) 0.5745(11) 0.0680(8) 0.125(6) Uani 1 1 d .
O52 O 0.7946(9) 0.4803(8) -0.0408(6) 0.045(3) Uani 1 1 d .
O53 O 0.9215(9) 0.6169(8) -0.0425(6) 0.046(3) Uani 1 1 d .
N6N N 1.1232(8) 0.0610(7) 0.4586(6) 0.020(2) Uani 1 1 d .
O61 O 1.2158(7) 0.0646(6) 0.4854(6) 0.033(2) Uani 1 1 d .
O62 O 1.1001(8) 0.1058(7) 0.5059(5) 0.036(3) Uani 1 1 d .
O63 O 1.0542(8) 0.0132(7) 0.3844(5) 0.038(2) Uani 1 1 d .
N7N N 1.0089(9) 0.7013(7) 0.2603(7) 0.026(2) Uani 1 1 d .
O71 O 0.9358(7) 0.6118(6) 0.2474(5) 0.030(2) Uani 1 1 d .
O72 O 0.9851(7) 0.7675(6) 0.2719(6) 0.034(2) Uani 1 1 d .
O73 O 1.1003(10) 0.7239(8) 0.2638(10) 0.085(5) Uani 1 1 d .
N8N N 1.5386(11) 0.3415(8) 0.3895(7) 0.056(3) Uani 1 1 d D
O81 O 1.5786(9) 0.4287(7) 0.4488(6) 0.064(3) Uani 1 1 d D
O82 O 1.5226(11) 0.3387(9) 0.3124(6) 0.082(3) Uani 1 1 d D
O83 O 1.5235(11) 0.2614(7) 0.4076(8) 0.077(3) Uani 1 1 d D
N9N N 1.0417(10) 0.1869(8) 0.1330(8) 0.057(3) Uani 1 1 d D
O91 O 1.0767(11) 0.2739(8) 0.1816(8) 0.100(4) Uani 1 1 d D
O92 O 0.9418(8) 0.1115(9) 0.1118(10) 0.117(5) Uani 1 1 d D
O93 O 1.1089(10) 0.1710(12) 0.1064(9) 0.122(5) Uani 1 1 d D
N10N N 1.7457(8) 0.3106(7) 0.5417(6) 0.037(2) Uani 1 1 d D
O101 O 1.7988(11) 0.3941(8) 0.6033(7) 0.105(4) Uani 1 1 d D
O102 O 1.7888(10) 0.2967(12) 0.4909(8) 0.115(5) Uani 1 1 d D
O103 O 1.6359(8) 0.2561(11) 0.5159(10) 0.115(4) Uani 1 1 d D
O1 O 0.8651(11) 0.3400(10) 0.0351(8) 0.086(3) Uani 1 1 d .
H11 H 0.8237 0.3248 -0.0157 0.104 Uiso 1 1 d R
H12 H 0.9276 0.3494 0.0383 0.104 Uiso 1 1 d R
O2 O 0.4929(6) -0.2415(6) -0.0135(5) 0.027(2) Uani 1 1 d .
H21 H 0.4672 -0.2289 0.0204 0.032 Uiso 1 1 d R
H22 H 0.4413 -0.2961 -0.0524 0.032 Uiso 1 1 d R
O3 O 0.6241(6) -0.3076(5) 0.0907(5) 0.0175(17) Uani 1 1 d .
H31 H 0.5901 -0.3682 0.0595 0.021 Uiso 1 1 d R
H32 H 0.5881 -0.3031 0.1184 0.021 Uiso 1 1 d R
O1W O 0.7712(8) -0.2835(8) 0.2310(6) 0.043(3) Uani 1 1 d .
H1W H 0.8261 -0.2828 0.2246 0.052 Uiso 1 1 d R
H2W H 0.771 -0.2316 0.2236 0.052 Uiso 1 1 d R
O2W O 1.6374(8) 1.1404(7) 0.3423(6) 0.042(3) Uani 1 1 d .
H3W H 1.6297 1.0834 0.3399 0.05 Uiso 1 1 d R
H4W H 1.68 1.1795 0.3924 0.05 Uiso 1 1 d R
O3W O 1.2132(8) 0.1259(7) 0.6724(6) 0.042(3) Uani 1 1 d .
H5W H 1.2097 0.0767 0.6877 0.051 Uiso 1 1 d R
H6W H 1.2087 0.1134 0.6231 0.051 Uiso 1 1 d R
O4W O 0.4987(7) -0.2812(6) 0.1619(5) 0.025(2) Uani 1 1 d .
H7W H 0.5155 -0.2608 0.2137 0.03 Uiso 1 1 d R
H8W H 0.4306 -0.3004 0.1355 0.03 Uiso 1 1 d R
O5W O 0.7823(9) 0.1690(8) 0.0844(8) 0.074(4) Uani 1 1 d .
H9W H 0.8175 0.2199 0.1282 0.088 Uiso 1 1 d R
H10W H 0.8294 0.166 0.068 0.088 Uiso 1 1 d R
O6W O 0.6549(9) -0.4681(9) 0.2500(7) 0.059(3) Uani 1 1 d .
H11W H 0.6632 -0.4102 0.2619 0.071 Uiso 1 1 d R
H12W H 0.6029 -0.5028 0.2012 0.071 Uiso 1 1 d R
O7W O 0.5649(10) 0.1028(10) 0.0629(11) 0.111(7) Uani 1 1 d .
H13W H 0.5439 0.0657 0.0908 0.133 Uiso 1 1 d R
H14W H 0.6124 0.0938 0.051 0.133 Uiso 1 1 d R
O8W O 1.5277(10) 1.1605(14) 0.2004(12) 0.134(8) Uani 1 1 d .
H15W H 1.4592 1.1357 0.1895 0.161 Uiso 1 1 d R
H16W H 1.556 1.2228 0.2089 0.161 Uiso 1 1 d R
O9W O 1.1818(11) 0.4708(14) 0.5026(15) 0.198(14) Uani 1 1 d .
H17W H 1.2315 0.4679 0.49 0.238 Uiso 1 1 d R
H18W H 1.1703 0.5136 0.485 0.238 Uiso 1 1 d R
O10W O 0.7727(11) -0.5359(11) 0.3582(9) 0.086(3) Uani 1 1 d .
H19W H 0.7595 -0.5229 0.3119 0.104 Uiso 1 1 d R
H20W H 0.7132 -0.5887 0.3494 0.104 Uiso 1 1 d R
O11W O 1.0597(15) 0.5197(10) 0.5863(8) 0.125(6) Uani 1 1 d .
H21W H 1.0833 0.5839 0.6022 0.15 Uiso 1 1 d R
H22W H 1.0214 0.489 0.602 0.15 Uiso 1 1 d R
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 0 '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 0.006 '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
N11 Pt1 N14 83.6(4) . .
N11 Pt1 N4A 92.9(4) . .
N14 Pt1 N4A 176.5(4) . .
N11 Pt1 N4F 175.4(4) . .
N14 Pt1 N4F 92.4(4) . .
N4A Pt1 N4F 91.1(4) . .
N21 Pt2 N4C 92.5(4) . .
N21 Pt2 N4B 176.0(4) . .
N4C Pt2 N4B 91.4(3) . .
N21 Pt2 N24 83.1(4) . .
N4C Pt2 N24 174.0(4) . .
N4B Pt2 N24 93.1(4) . .
N34 Pt3 N4E 93.2(4) . .
N34 Pt3 N31 82.8(4) . .
N4E Pt3 N31 175.7(4) . .
N34 Pt3 N4D 176.6(3) . .
N4E Pt3 N4D 89.8(3) . .
N31 Pt3 N4D 94.3(4) . .
O31 Cu1 O51 103.7(6) . .
O31 Cu1 N1A 88.0(4) . .
O51 Cu1 N1A 167.5(6) . .
O31 Cu1 N1B 168.2(4) . .
O51 Cu1 N1B 88.0(6) . .
N1A Cu1 N1B 80.2(4) . .
O31 Cu1 O71 86.5(4) . .
O51 Cu1 O71 99.0(4) . .
N1A Cu1 O71 85.9(3) . .
N1B Cu1 O71 93.4(3) . .
O3 Cu2 N1C 93.7(3) . 2_755
O3 Cu2 N1D 172.3(3) . 2_755
N1C Cu2 N1D 79.8(3) 2_755 2_755
O3 Cu2 N1F 92.2(3) . .
N1C Cu2 N1F 168.0(4) 2_755 .
N1D Cu2 N1F 94.9(3) 2_755 .
O3 Cu2 O2 87.0(3) . .
N1C Cu2 O2 97.8(3) 2_755 .
N1D Cu2 O2 89.8(3) 2_755 .
N1F Cu2 O2 93.0(3) . .
O3 Cu2 N1E 92.9(3) . .
N1C Cu2 N1E 94.0(3) 2_755 .
N1D Cu2 N1E 91.7(3) 2_755 .
N1F Cu2 N1E 75.2(3) . .
O2 Cu2 N1E 168.2(3) . .
C12 N11 Pt1 109.6(7) . .
C12 N11 H11A 109.8 . .
Pt1 N11 H11A 109.8 . .
C12 N11 H11B 109.8 . .
Pt1 N11 H11B 109.8 . .
H11A N11 H11B 108.2 . .
N11 C12 C13 107.1(10) . .
N11 C12 H12A 110.3 . .
C13 C12 H12A 110.3 . .
N11 C12 H12B 110.3 . .
C13 C12 H12B 110.3 . .
H12A C12 H12B 108.5 . .
N14 C13 C12 107.2(10) . .
N14 C13 H13A 110.3 . .
C12 C13 H13A 110.3 . .
N14 C13 H13B 110.3 . .
C12 C13 H13B 110.3 . .
H13A C13 H13B 108.5 . .
C13 N14 Pt1 110.1(7) . .
C13 N14 H14A 109.6 . .
Pt1 N14 H14A 109.6 . .
C13 N14 H14B 109.6 . .
Pt1 N14 H14B 109.6 . .
H14A N14 H14B 108.2 . .
C22 N21 Pt2 108.4(7) . .
C22 N21 H21A 110 . .
Pt2 N21 H21A 110 . .
C22 N21 H21B 110 . .
Pt2 N21 H21B 110 . .
H21A N21 H21B 108.4 . .
N21 C22 C23 107.9(10) . .
N21 C22 H22A 110.1 . .
C23 C22 H22A 110.1 . .
N21 C22 H22B 110.1 . .
C23 C22 H22B 110.1 . .
H22A C22 H22B 108.4 . .
C22 C23 N24 109.1(10) . .
C22 C23 H23A 109.9 . .
N24 C23 H23A 109.9 . .
C22 C23 H23B 109.9 . .
N24 C23 H23B 109.9 . .
H23A C23 H23B 108.3 . .
C23 N24 Pt2 109.0(7) . .
C23 N24 H24A 109.9 . .
Pt2 N24 H24A 109.9 . .
C23 N24 H24B 109.9 . .
Pt2 N24 H24B 109.9 . .
H24A N24 H24B 108.3 . .
C32 N31 Pt3 110.2(8) . .
C32 N31 H31A 109.6 . .
Pt3 N31 H31A 109.6 . .
C32 N31 H31B 109.6 . .
Pt3 N31 H31B 109.6 . .
H31A N31 H31B 108.1 . .
N31 C32 C33 107.9(10) . .
N31 C32 H32A 110.1 . .
C33 C32 H32A 110.1 . .
N31 C32 H32B 110.1 . .
C33 C32 H32B 110.1 . .
H32A C32 H32B 108.4 . .
N34 C33 C32 105.2(9) . .
N34 C33 H33A 110.7 . .
C32 C33 H33A 110.7 . .
N34 C33 H33B 110.7 . .
C32 C33 H33B 110.7 . .
H33A C33 H33B 108.8 . .
C33 N34 Pt3 111.1(8) . .
C33 N34 H34A 109.4 . .
Pt3 N34 H34A 109.4 . .
C33 N34 H34B 109.4 . .
Pt3 N34 H34B 109.4 . .
H34A N34 H34B 108 . .
C2A N1A C6A 117.3(10) . .
C2A N1A Cu1 115.6(8) . .
C6A N1A Cu1 127.0(7) . .
N1A C2A C3A 122.3(11) . .
N1A C2A C2B 114.0(10) . .
C3A C2A C2B 123.6(10) . .
N4A C3A C2A 120.1(10) . .
N4A C3A H3AA 120 . .
C2A C3A H3AA 120 . .
C5A N4A C3A 117.7(9) . .
C5A N4A Pt1 120.8(8) . .
C3A N4A Pt1 121.5(7) . .
N4A C5A C6A 122.2(11) . .
N4A C5A H5AA 118.9 . .
C6A C5A H5AA 118.9 . .
N1A C6A C5A 120.3(10) . .
N1A C6A H6AA 119.9 . .
C5A C6A H6AA 119.9 . .
C6B N1B C2B 118.8(9) . .
C6B N1B Cu1 127.3(8) . .
C2B N1B Cu1 113.9(8) . .
N1B C2B C3B 120.7(10) . .
N1B C2B C2A 115.1(9) . .
C3B C2B C2A 124.1(9) . .
N4B C3B C2B 120.4(9) . .
N4B C3B H3BA 119.8 . .
C2B C3B H3BA 119.8 . .
C5B N4B C3B 117.7(9) . .
C5B N4B Pt2 123.7(8) . .
C3B N4B Pt2 118.5(7) . .
N4B C5B C6B 123.2(11) . .
N4B C5B H5BA 118.4 . .
C6B C5B H5BA 118.4 . .
N1B C6B C5B 119.1(10) . .
N1B C6B H6BA 120.5 . .
C5B C6B H6BA 120.5 . .
C6C N1C C2C 118.9(10) . .
C6C N1C Cu2 126.1(8) . 2_755
C2C N1C Cu2 114.7(7) . 2_755
N1C C2C C3C 120.9(9) . .
N1C C2C C2D 114.1(9) . .
C3C C2C C2D 125.0(11) . .
N4C C3C C2C 120.3(11) . .
N4C C3C H3CA 119.8 . .
C2C C3C H3CA 119.8 . .
C5C N4C C3C 117.6(9) . .
C5C N4C Pt2 120.2(7) . .
C3C N4C Pt2 121.9(8) . .
N4C C5C C6C 122.2(9) . .
N4C C5C H5CA 118.9 . .
C6C C5C H5CA 118.9 . .
N1C C6C C5C 120.0(11) . .
N1C C6C H6CA 120 . .
C5C C6C H6CA 120 . .
C2D N1D C6D 119.0(10) . .
C2D N1D Cu2 114.3(7) . 2_755
C6D N1D Cu2 126.6(8) . 2_755
N1D C2D C3D 121.7(10) . .
N1D C2D C2C 116.7(10) . .
C3D C2D C2C 121.6(10) . .
N4D C3D C2D 119.0(10) . .
N4D C3D H3DA 120.5 . .
C2D C3D H3DA 120.5 . .
C5D N4D C3D 119.2(10) . .
C5D N4D Pt3 122.8(7) . .
C3D N4D Pt3 118.0(7) . .
N4D C5D C6D 120.2(10) . .
N4D C5D H5DA 119.9 . .
C6D C5D H5DA 119.9 . .
N1D C6D C5D 120.9(10) . .
N1D C6D H6DA 119.6 . .
C5D C6D H6DA 119.6 . .
C6E N1E C2E 117.3(9) . .
C6E N1E Cu2 131.0(7) . .
C2E N1E Cu2 111.6(7) . .
N1E C2E C3E 121.4(10) . .
N1E C2E C2F 115.3(10) . .
C3E C2E C2F 123.3(9) . .
N4E C3E C2E 121.9(10) . .
N4E C3E H3EA 119 . .
C2E C3E H3EA 119 . .
C3E N4E C5E 118.2(9) . .
C3E N4E Pt3 122.1(7) . .
C5E N4E Pt3 119.7(7) . .
N4E C5E C6E 118.7(10) . .
N4E C5E H5EA 120.7 . .
C6E C5E H5EA 120.7 . .
N1E C6E C5E 122.2(10) . .
N1E C6E H6EA 118.9 . .
C5E C6E H6EA 118.9 . .
C2F N1F C6F 118.9(9) . .
C2F N1F Cu2 119.2(7) . .
C6F N1F Cu2 121.9(7) . .
N1F C2F C3F 120.8(10) . .
N1F C2F C2E 118.4(9) . .
C3F C2F C2E 120.7(9) . .
N4F C3F C2F 120.9(10) . .
N4F C3F H3FA 119.6 . .
C2F C3F H3FA 119.6 . .
C3F N4F C5F 118.0(9) . .
C3F N4F Pt1 118.9(7) . .
C5F N4F Pt1 122.9(8) . .
N4F C5F C6F 120.7(11) . .
N4F C5F H5FA 119.7 . .
C6F C5F H5FA 119.7 . .
N1F C6F C5F 120.6(10) . .
N1F C6F H6FA 119.7 . .
C5F C6F H6FA 119.7 . .
O13 N1N O12 122.1(13) . .
O13 N1N O11 119.3(13) . .
O12 N1N O11 118.5(13) . .
O22 N2N O23 123(2) . .
O22 N2N O21 120.6(16) . .
O23 N2N O21 116.0(18) . .
O33 N3N O32 124.4(15) . .
O33 N3N O31 120.1(15) . .
O32 N3N O31 115.4(15) . .
N3N O31 Cu1 121.9(10) . .
O42 N4N O43 121.0(17) . .
O42 N4N O41 116.3(17) . .
O43 N4N O41 122.6(16) . .
O53 N5N O52 121.2(12) . .
O53 N5N O51 120.0(14) . .
O52 N5N O51 118.8(15) . .
N5N O51 Cu1 125.2(14) . .
O62 N6N O63 118.7(10) . .
O62 N6N O61 120.4(10) . .
O63 N6N O61 121.0(10) . .
O73 N7N O72 119.7(11) . .
O73 N7N O71 122.4(10) . .
O72 N7N O71 117.9(11) . .
N7N O71 Cu1 114.2(8) . .
O83 N8N O82 118.5(8) . .
O83 N8N O81 121.5(8) . .
O82 N8N O81 119.8(8) . .
O91 N9N O92 121.4(9) . .
O91 N9N O93 119.8(9) . .
O92 N9N O93 118.7(8) . .
O101 N10N O102 120.6(9) . .
O101 N10N O103 116.9(8) . .
O102 N10N O103 118.8(8) . .
H11 O1 H12 107.7 . .
Cu2 O2 H21 123 . .
Cu2 O2 H22 115.8 . .
H21 O2 H22 107.7 . .
Cu2 O3 H31 110.8 . .
Cu2 O3 H32 120.8 . .
H31 O3 H32 107.8 . .
H1W O1W H2W 107.8 . .
H3W O2W H4W 107.8 . .
H5W O3W H6W 107.7 . .
H7W O4W H8W 107.8 . .
H9W O5W H10W 107.8 . .
H11W O6W H12W 107.7 . .
H13W O7W H14W 107.7 . .
H15W O8W H16W 107.7 . .
H17W O9W H18W 108 . .
H19W O10W H20W 105.6 . .
H21W O11W H22W 116.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 N11 2.008(8) .
Pt1 N14 2.009(8) .
Pt1 N4A 2.019(9) .
Pt1 N4F 2.023(9) .
Pt2 N21 2.019(8) .
Pt2 N4C 2.024(9) .
Pt2 N4B 2.030(9) .
Pt2 N24 2.050(9) .
Pt3 N34 1.999(9) .
Pt3 N4E 2.013(8) .
Pt3 N31 2.022(9) .
Pt3 N4D 2.028(9) .
Cu1 O31 1.938(12) .
Cu1 O51 1.948(18) .
Cu1 N1A 2.010(9) .
Cu1 N1B 2.021(9) .
Cu1 O71 2.342(9) .
Cu2 O3 1.947(8) .
Cu2 N1C 2.026(9) 2_755
Cu2 N1D 2.037(9) 2_755
Cu2 N1F 2.070(8) .
Cu2 O2 2.264(8) .
Cu2 N1E 2.319(9) .
N11 C12 1.486(14) .
N11 H11A 0.92 .
N11 H11B 0.92 .
C12 C13 1.498(16) .
C12 H12A 0.99 .
C12 H12B 0.99 .
C13 N14 1.490(14) .
C13 H13A 0.99 .
C13 H13B 0.99 .
N14 H14A 0.92 .
N14 H14B 0.92 .
N21 C22 1.462(14) .
N21 H21A 0.92 .
N21 H21B 0.92 .
C22 C23 1.472(18) .
C22 H22A 0.99 .
C22 H22B 0.99 .
C23 N24 1.492(14) .
C23 H23A 0.99 .
C23 H23B 0.99 .
N24 H24A 0.92 .
N24 H24B 0.92 .
N31 C32 1.448(15) .
N31 H31A 0.92 .
N31 H31B 0.92 .
C32 C33 1.527(17) .
C32 H32A 0.99 .
C32 H32B 0.99 .
C33 N34 1.479(13) .
C33 H33A 0.99 .
C33 H33B 0.99 .
N34 H34A 0.92 .
N34 H34B 0.92 .
N1A C2A 1.340(13) .
N1A C6A 1.354(14) .
C2A C3A 1.364(15) .
C2A C2B 1.476(15) .
C3A N4A 1.360(14) .
C3A H3AA 0.95 .
N4A C5A 1.328(14) .
C5A C6A 1.373(15) .
C5A H5AA 0.95 .
C6A H6AA 0.95 .
N1B C6B 1.321(15) .
N1B C2B 1.355(13) .
C2B C3B 1.367(14) .
C3B N4B 1.364(14) .
C3B H3BA 0.95 .
N4B C5B 1.288(14) .
C5B C6B 1.400(15) .
C5B H5BA 0.95 .
C6B H6BA 0.95 .
N1C C6C 1.339(13) .
N1C C2C 1.342(14) .
N1C Cu2 2.026(9) 2_755
C2C C3C 1.365(15) .
C2C C2D 1.471(13) .
C3C N4C 1.363(13) .
C3C H3CA 0.95 .
N4C C5C 1.330(14) .
C5C C6C 1.365(15) .
C5C H5CA 0.95 .
C6C H6CA 0.95 .
N1D C2D 1.309(14) .
N1D C6D 1.325(13) .
N1D Cu2 2.037(9) 2_755
C2D C3D 1.385(15) .
C3D N4D 1.350(13) .
C3D H3DA 0.95 .
N4D C5D 1.327(14) .
C5D C6D 1.383(16) .
C5D H5DA 0.95 .
C6D H6DA 0.95 .
N1E C6E 1.336(14) .
N1E C2E 1.341(13) .
C2E C3E 1.358(15) .
C2E C2F 1.486(14) .
C3E N4E 1.335(13) .
C3E H3EA 0.95 .
N4E C5E 1.359(13) .
C5E C6E 1.401(15) .
C5E H5EA 0.95 .
C6E H6EA 0.95 .
N1F C2F 1.318(13) .
N1F C6F 1.340(13) .
C2F C3F 1.388(14) .
C3F N4F 1.323(14) .
C3F H3FA 0.95 .
N4F C5F 1.354(14) .
C5F C6F 1.367(15) .
C5F H5FA 0.95 .
C6F H6FA 0.95 .
N1N O13 1.219(15) .
N1N O12 1.236(14) .
N1N O11 1.241(13) .
N2N O22 1.225(19) .
N2N O23 1.251(19) .
N2N O21 1.28(2) .
N3N O33 1.178(17) .
N3N O32 1.223(17) .
N3N O31 1.313(15) .
N4N O42 1.202(17) .
N4N O43 1.246(19) .
N4N O41 1.255(18) .
N5N O53 1.241(15) .
N5N O52 1.248(14) .
N5N O51 1.262(16) .
N6N O62 1.241(13) .
N6N O63 1.248(12) .
N6N O61 1.274(12) .
N7N O73 1.214(14) .
N7N O72 1.247(12) .
N7N O71 1.277(13) .
N8N O83 1.297(8) .
N8N O82 1.319(8) .
N8N O81 1.352(8) .
N9N O91 1.282(8) .
N9N O92 1.312(8) .
N9N O93 1.322(8) .
N10N O101 1.298(8) .
N10N O102 1.304(8) .
N10N O103 1.333(8) .
O1 H11 0.8498 .
O1 H12 0.8499 .
O2 H21 0.8498 .
O2 H22 0.8504 .
O3 H31 0.8501 .
O3 H32 0.8491 .
O1W H1W 0.8491 .
O1W H2W 0.8499 .
O2W H3W 0.849 .
O2W H4W 0.8504 .
O3W H5W 0.8493 .
O3W H6W 0.8505 .
O4W H7W 0.8496 .
O4W H8W 0.8496 .
O5W H9W 0.8497 .
O5W H10W 0.8493 .
O6W H11W 0.8499 .
O6W H12W 0.8497 .
O7W H13W 0.8484 .
O7W H14W 0.8514 .
O8W H15W 0.8508 .
O8W H16W 0.8496 .
O9W H17W 0.8482 .
O9W H18W 0.8486 .
O10W H19W 0.8707 .
O10W H20W 0.8526 .
O11W H21W 0.8787 .
O11W H22W 0.7326 .
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
N14 Pt1 N11 C12 16.1(8) .
N4A Pt1 N11 C12 -164.4(8) .
Pt1 N11 C12 C13 -41.1(11) .
N11 C12 C13 N14 51.4(12) .
C12 C13 N14 Pt1 -38.1(11) .
N11 Pt1 N14 C13 12.5(8) .
N4F Pt1 N14 C13 -169.8(8) .
N4C Pt2 N21 C22 153.4(8) .
N24 Pt2 N21 C22 -22.6(8) .
Pt2 N21 C22 C23 46.2(11) .
N21 C22 C23 N24 -51.3(13) .
C22 C23 N24 Pt2 31.4(12) .
N21 Pt2 N24 C23 -4.8(9) .
N4B Pt2 N24 C23 174.2(9) .
N34 Pt3 N31 C32 -13.9(8) .
N4D Pt3 N31 C32 164.2(8) .
Pt3 N31 C32 C33 39.8(12) .
N31 C32 C33 N34 -51.7(13) .
C32 C33 N34 Pt3 40.1(12) .
N4E Pt3 N34 C33 162.8(7) .
N31 Pt3 N34 C33 -15.8(7) .
O31 Cu1 N1A C2A 170.2(8) .
O51 Cu1 N1A C2A 11(2) .
N1B Cu1 N1A C2A -9.0(7) .
O71 Cu1 N1A C2A -103.1(8) .
O31 Cu1 N1A C6A -7.6(10) .
O51 Cu1 N1A C6A -167.0(19) .
N1B Cu1 N1A C6A 173.2(10) .
O71 Cu1 N1A C6A 79.1(9) .
C6A N1A C2A C3A 3.7(15) .
Cu1 N1A C2A C3A -174.3(8) .
C6A N1A C2A C2B -174.9(9) .
Cu1 N1A C2A C2B 7.1(11) .
N1A C2A C3A N4A -2.6(16) .
C2B C2A C3A N4A 175.8(9) .
C2A C3A N4A C5A -0.2(15) .
C2A C3A N4A Pt1 -178.3(8) .
N11 Pt1 N4A C5A -96.1(9) .
N4F Pt1 N4A C5A 86.1(9) .
N11 Pt1 N4A C3A 81.9(8) .
N4F Pt1 N4A C3A -95.9(8) .
C3A N4A C5A C6A 1.8(17) .
Pt1 N4A C5A C6A 180.0(9) .
C2A N1A C6A C5A -2.0(16) .
Cu1 N1A C6A C5A 175.8(8) .
N4A C5A C6A N1A -0.7(18) .
O31 Cu1 N1B C6B -175(2) .
O51 Cu1 N1B C6B 12.7(10) .
N1A Cu1 N1B C6B -171.6(11) .
O71 Cu1 N1B C6B -86.3(10) .
O31 Cu1 N1B C2B 5(3) .
O51 Cu1 N1B C2B -166.5(8) .
N1A Cu1 N1B C2B 9.3(7) .
O71 Cu1 N1B C2B 94.5(8) .
C6B N1B C2B C3B -4.3(15) .
Cu1 N1B C2B C3B 175.0(8) .
C6B N1B C2B C2A 172.5(10) .
Cu1 N1B C2B C2A -8.3(11) .
N1A C2A C2B N1B 0.9(13) .
C3A C2A C2B N1B -177.7(10) .
N1A C2A C2B C3B 177.5(9) .
C3A C2A C2B C3B -1.0(16) .
N1B C2B C3B N4B 3.3(15) .
C2A C2B C3B N4B -173.2(9) .
C2B C3B N4B C5B 0.3(15) .
C2B C3B N4B Pt2 178.9(7) .
N4C Pt2 N4B C5B -93.5(9) .
N24 Pt2 N4B C5B 82.6(9) .
N4C Pt2 N4B C3B 88.0(8) .
N24 Pt2 N4B C3B -95.9(8) .
C3B N4B C5B C6B -2.8(16) .
Pt2 N4B C5B C6B 178.7(9) .
C2B N1B C6B C5B 1.8(16) .
Cu1 N1B C6B C5B -177.3(8) .
N4B C5B C6B N1B 1.8(18) .
C6C N1C C2C C3C -1.2(15) .
Cu2 N1C C2C C3C -176.0(8) 2_755
C6C N1C C2C C2D -178.9(9) .
Cu2 N1C C2C C2D 6.3(11) 2_755
N1C C2C C3C N4C -0.3(16) .
C2D C2C C3C N4C 177.2(10) .
C2C C3C N4C C5C 0.9(15) .
C2C C3C N4C Pt2 -172.5(8) .
N21 Pt2 N4C C5C -95.0(8) .
N4B Pt2 N4C C5C 85.7(8) .
N21 Pt2 N4C C3C 78.3(9) .
N4B Pt2 N4C C3C -101.0(9) .
C3C N4C C5C C6C -0.2(15) .
Pt2 N4C C5C C6C 173.3(8) .
C2C N1C C6C C5C 1.9(15) .
Cu2 N1C C6C C5C 176.0(7) 2_755
N4C C5C C6C N1C -1.2(16) .
C6D N1D C2D C3D -0.6(15) .
Cu2 N1D C2D C3D 179.6(8) 2_755
C6D N1D C2D C2C 177.5(9) .
Cu2 N1D C2D C2C -2.3(12) 2_755
N1C C2C C2D N1D -2.7(14) .
C3C C2C C2D N1D 179.7(10) .
N1C C2C C2D C3D 175.4(9) .
C3C C2C C2D C3D -2.2(17) .
N1D C2D C3D N4D 0.9(16) .
C2C C2D C3D N4D -177.1(9) .
C2D C3D N4D C5D -0.2(15) .
C2D C3D N4D Pt3 -179.0(7) .
N4E Pt3 N4D C5D -80.8(8) .
N31 Pt3 N4D C5D 97.9(9) .
N4E Pt3 N4D C3D 98.0(8) .
N31 Pt3 N4D C3D -83.4(8) .
C3D N4D C5D C6D -0.8(15) .
Pt3 N4D C5D C6D 178.0(8) .
C2D N1D C6D C5D -0.4(16) .
Cu2 N1D C6D C5D 179.4(8) 2_755
N4D C5D C6D N1D 1.1(16) .
O3 Cu2 N1E C6E 87.9(11) .
N1C Cu2 N1E C6E -6.1(11) 2_755
N1D Cu2 N1E C6E -86.0(11) 2_755
N1F Cu2 N1E C6E 179.4(11) .
O2 Cu2 N1E C6E 176.9(14) .
O3 Cu2 N1E C2E -95.8(8) .
N1C Cu2 N1E C2E 170.3(8) 2_755
N1D Cu2 N1E C2E 90.4(8) 2_755
N1F Cu2 N1E C2E -4.3(8) .
O2 Cu2 N1E C2E -7(2) .
C6E N1E C2E C3E 1.7(16) .
Cu2 N1E C2E C3E -175.2(8) .
C6E N1E C2E C2F -179.0(10) .
Cu2 N1E C2E C2F 4.1(12) .
N1E C2E C3E N4E -5.4(17) .
C2F C2E C3E N4E 175.3(10) .
C2E C3E N4E C5E 4.5(16) .
C2E C3E N4E Pt3 -177.1(8) .
N34 Pt3 N4E C3E 81.0(9) .
N4D Pt3 N4E C3E -97.2(9) .
N34 Pt3 N4E C5E -100.5(9) .
N4D Pt3 N4E C5E 81.3(8) .
C3E N4E C5E C6E -0.2(16) .
Pt3 N4E C5E C6E -178.7(8) .
C2E N1E C6E C5E 2.6(17) .
Cu2 N1E C6E C5E 178.8(8) .
N4E C5E C6E N1E -3.4(18) .
O3 Cu2 N1F C2F 96.3(8) .
N1C Cu2 N1F C2F -23(2) 2_755
N1D Cu2 N1F C2F -86.6(8) 2_755
O2 Cu2 N1F C2F -176.6(8) .
N1E Cu2 N1F C2F 3.9(8) .
O3 Cu2 N1F C6F -84.1(9) .
N1C Cu2 N1F C6F 156.5(14) 2_755
N1D Cu2 N1F C6F 93.0(9) 2_755
O2 Cu2 N1F C6F 3.0(9) .
N1E Cu2 N1F C6F -176.5(9) .
C6F N1F C2F C3F 0.7(16) .
Cu2 N1F C2F C3F -179.7(8) .
C6F N1F C2F C2E 177.3(10) .
Cu2 N1F C2F C2E -3.1(13) .
N1E C2E C2F N1F -1.2(15) .
C3E C2E C2F N1F 178.2(10) .
N1E C2E C2F C3F 175.5(10) .
C3E C2E C2F C3F -5.2(17) .
N1F C2F C3F N4F -0.3(17) .
C2E C2F C3F N4F -176.9(10) .
C2F C3F N4F C5F 2.2(16) .
C2F C3F N4F Pt1 177.8(8) .
N14 Pt1 N4F C3F -78.4(9) .
N4A Pt1 N4F C3F 102.0(9) .
N14 Pt1 N4F C5F 97.0(9) .
N4A Pt1 N4F C5F -82.7(9) .
C3F N4F C5F C6F -4.5(17) .
Pt1 N4F C5F C6F -179.9(9) .
C2F N1F C6F C5F -2.9(16) .
Cu2 N1F C6F C5F 177.5(9) .
N4F C5F C6F N1F 4.9(18) .
O33 N3N O31 Cu1 -9(2) .
O32 N3N O31 Cu1 169.8(12) .
O51 Cu1 O31 N3N -35.6(14) .
N1A Cu1 O31 N3N 148.9(13) .
N1B Cu1 O31 N3N 152.6(19) .
O71 Cu1 O31 N3N 62.8(12) .
O53 N5N O51 Cu1 176.9(10) .
O52 N5N O51 Cu1 -1(2) .
O31 Cu1 O51 N5N -33.8(15) .
N1A Cu1 O51 N5N 125(2) .
N1B Cu1 O51 N5N 144.6(14) .
O71 Cu1 O51 N5N -122.3(13) .
O73 N7N O71 Cu1 -48.2(16) .
O72 N7N O71 Cu1 133.8(9) .
O31 Cu1 O71 N7N -131.6(8) .
O51 Cu1 O71 N7N -28.4(9) .
N1A Cu1 O71 N7N 140.1(8) .
N1B Cu1 O71 N7N 60.2(8) .
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1 PubChem 168347950
