#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/80/4318084.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_4318084
loop_
_publ_author_name
'Hai-Bin Song'
'Zheng-Zhi Zhang'
'Zheng Hui'
'Chi-Ming Che'
'Thomas C. W. Mak'
_publ_section_title
;
 Linear Heterotrinuclear Complexes Derived from an Alkyl Platinum(II)
 Twelve-Membered Macrocycle
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3146
_journal_page_last               3154
_journal_paper_doi               10.1021/ic011293f
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C62 H59 Cl Cu N2 O4.5 P4 Pt2'
_chemical_formula_weight         1517.16
_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                96.824(2)
_cell_angle_beta                 102.047(2)
_cell_angle_gamma                111.745(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2441(12)
_cell_length_b                   13.7930(15)
_cell_length_c                   22.030(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3030.4(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.1274
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20759
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         0.97
_exptl_absorpt_coefficient_mu    5.150
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.529093
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1486
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.531
_refine_diff_density_min         -1.041
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.871
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     709
_refine_ls_number_reflns         14377
_refine_ls_number_restraints     381
_refine_ls_restrained_S_all      0.871
_refine_ls_R_factor_all          0.1158
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0596P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1383
_reflns_number_gt                7407
_reflns_number_total             14377
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011293f_2.cif
_cod_data_source_block           compd3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        3030.3(6)
_cod_original_formula_sum        'C62 H59 Cl Cu N2 O4.50 P4 Pt2'
_cod_database_code               4318084
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
Pt1 Pt 0.56220(4) 0.51479(3) 0.277417(18) 0.04545(12) Uani 1 1 d . . .
Pt2 Pt 0.44562(3) 0.24190(3) 0.395825(17) 0.04082(11) Uani 1 1 d . . .
C1 C 0.7589(9) 0.5367(8) 0.3167(5) 0.060(3) Uani 1 1 d . . .
H1A H 0.8183 0.6068 0.3152 0.090 Uiso 1 1 calc R . .
H1B H 0.7780 0.4840 0.2929 0.090 Uiso 1 1 calc R . .
H1C H 0.7707 0.5292 0.3601 0.090 Uiso 1 1 calc R . .
C2 C 0.5911(10) 0.6144(8) 0.3628(5) 0.072(3) Uani 1 1 d . . .
H2A H 0.6315 0.6877 0.3597 0.108 Uiso 1 1 calc R . .
H2B H 0.6483 0.6011 0.3966 0.108 Uiso 1 1 calc R . .
H2C H 0.5068 0.6005 0.3715 0.108 Uiso 1 1 calc R . .
C3 C 0.5936(9) 0.3675(8) 0.4676(5) 0.065(3) Uani 1 1 d . . .
H3A H 0.5988 0.3459 0.5076 0.098 Uiso 1 1 calc R . .
H3B H 0.5722 0.4288 0.4699 0.098 Uiso 1 1 calc R . .
H3C H 0.6778 0.3853 0.4581 0.098 Uiso 1 1 calc R . .
C4 C 0.3193(9) 0.3036(8) 0.4295(5) 0.054(3) Uani 1 1 d . . .
H4A H 0.3059 0.2809 0.4680 0.081 Uiso 1 1 calc R . .
H4B H 0.2351 0.2776 0.3981 0.081 Uiso 1 1 calc R . .
H4C H 0.3597 0.3803 0.4378 0.081 Uiso 1 1 calc R . .
Cu1 Cu 0.45354(11) 0.32177(9) 0.29379(6) 0.0457(3) Uani 1 1 d . . .
P1 P 0.3455(2) 0.4952(2) 0.24189(12) 0.0484(6) Uani 1 1 d . . .
P2 P 0.2570(2) 0.12360(19) 0.31745(12) 0.0459(6) Uani 1 1 d . . .
P3 P 0.5746(3) 0.4120(2) 0.18921(13) 0.0539(7) Uani 1 1 d . . .
P4 P 0.5992(2) 0.18620(18) 0.36760(13) 0.0443(6) Uani 1 1 d . . .
N1 N 0.2637(7) 0.2969(6) 0.2699(3) 0.0460(19) Uani 1 1 d . . .
N2 N 0.5782(7) 0.2695(6) 0.2641(4) 0.0461(19) Uani 1 1 d . . .
C5 C 0.3045(10) 0.5128(8) 0.1607(5) 0.056(3) Uani 1 1 d . . .
C6 C 0.1941(11) 0.4464(11) 0.1119(5) 0.074(3) Uani 1 1 d . . .
H6A H 0.1335 0.3842 0.1188 0.089 Uiso 1 1 calc R . .
C7 C 0.1726(16) 0.4717(16) 0.0525(6) 0.112(6) Uani 1 1 d . . .
H7A H 0.1005 0.4250 0.0191 0.135 Uiso 1 1 calc R . .
C8 C 0.2597(19) 0.5672(18) 0.0435(8) 0.126(7) Uani 1 1 d . . .
H8A H 0.2440 0.5858 0.0043 0.151 Uiso 1 1 calc R . .
C9 C 0.3641(16) 0.6317(14) 0.0899(8) 0.117(6) Uani 1 1 d . . .
H9A H 0.4225 0.6949 0.0829 0.140 Uiso 1 1 calc R . .
C10 C 0.3888(12) 0.6067(11) 0.1501(6) 0.084(4) Uani 1 1 d . . .
H10A H 0.4624 0.6537 0.1827 0.101 Uiso 1 1 calc R . .
C11 C 0.2799(9) 0.5767(7) 0.2827(5) 0.049(2) Uani 1 1 d . . .
C12 C 0.2301(11) 0.6449(9) 0.2544(5) 0.068(3) Uani 1 1 d . . .
H12A H 0.2355 0.6522 0.2136 0.082 Uiso 1 1 calc R . .
C13 C 0.1738(12) 0.7009(10) 0.2854(6) 0.080(4) Uani 1 1 d . . .
H13A H 0.1437 0.7468 0.2657 0.096 Uiso 1 1 calc R . .
C14 C 0.1614(11) 0.6896(9) 0.3456(6) 0.068(3) Uani 1 1 d . . .
H14A H 0.1196 0.7249 0.3660 0.081 Uiso 1 1 calc R . .
C15 C 0.2130(11) 0.6245(9) 0.3749(6) 0.068(3) Uani 1 1 d . . .
H15A H 0.2083 0.6180 0.4160 0.082 Uiso 1 1 calc R . .
C16 C 0.2701(10) 0.5704(8) 0.3445(5) 0.056(3) Uani 1 1 d . . .
H16A H 0.3039 0.5275 0.3654 0.067 Uiso 1 1 calc R . .
C17 C 0.2192(9) 0.3666(7) 0.2453(4) 0.045(2) Uani 1 1 d . . .
C18 C 0.0853(10) 0.3456(8) 0.2313(5) 0.062(3) Uani 1 1 d . . .
H18A H 0.0554 0.3946 0.2157 0.074 Uiso 1 1 calc R . .
C19 C -0.0037(10) 0.2526(9) 0.2405(6) 0.077(4) Uani 1 1 d . . .
H19A H -0.0944 0.2364 0.2283 0.092 Uiso 1 1 calc R . .
C20 C 0.0413(10) 0.1831(8) 0.2678(5) 0.062(3) Uani 1 1 d . . .
H20A H -0.0181 0.1228 0.2771 0.075 Uiso 1 1 calc R . .
C21 C 0.1746(9) 0.2035(7) 0.2812(5) 0.047(2) Uani 1 1 d . . .
C22 C 0.2537(10) 0.0382(8) 0.2446(5) 0.057(3) Uani 1 1 d . . .
C23 C 0.1955(15) 0.0447(10) 0.1850(6) 0.096(5) Uani 1 1 d . . .
H23A H 0.1570 0.0935 0.1800 0.115 Uiso 1 1 calc R . .
C24 C 0.194(2) -0.0207(13) 0.1323(8) 0.134(7) Uani 1 1 d . . .
H24A H 0.1534 -0.0160 0.0921 0.161 Uiso 1 1 calc R . .
C25 C 0.2498(17) -0.0910(12) 0.1377(8) 0.107(5) Uani 1 1 d . . .
H25A H 0.2503 -0.1334 0.1016 0.129 Uiso 1 1 calc R . .
C26 C 0.3065(13) -0.0995(9) 0.1975(8) 0.086(4) Uani 1 1 d . . .
H26A H 0.3435 -0.1492 0.2022 0.104 Uiso 1 1 calc R . .
C27 C 0.3083(11) -0.0336(9) 0.2510(6) 0.073(3) Uani 1 1 d . . .
H27A H 0.3472 -0.0391 0.2913 0.088 Uiso 1 1 calc R . .
C28 C 0.1345(10) 0.0249(7) 0.3467(5) 0.054(3) Uani 1 1 d . . .
C29 C 0.0219(10) -0.0605(8) 0.3052(6) 0.069(3) Uani 1 1 d . . .
H29A H 0.0039 -0.0654 0.2615 0.083 Uiso 1 1 calc R . .
C30 C -0.0620(11) -0.1373(8) 0.3302(7) 0.075(4) Uani 1 1 d . . .
H30A H -0.1367 -0.1937 0.3030 0.090 Uiso 1 1 calc R . .
C31 C -0.0360(12) -0.1310(9) 0.3942(7) 0.073(3) Uani 1 1 d . . .
H31A H -0.0929 -0.1834 0.4101 0.088 Uiso 1 1 calc R . .
C32 C 0.0736(11) -0.0481(10) 0.4355(6) 0.073(3) Uani 1 1 d . . .
H32A H 0.0904 -0.0443 0.4791 0.088 Uiso 1 1 calc R . .
C33 C 0.1587(10) 0.0300(9) 0.4117(5) 0.063(3) Uani 1 1 d . . .
H33A H 0.2327 0.0862 0.4396 0.076 Uiso 1 1 calc R . .
C34 C 0.7244(10) 0.4902(10) 0.1662(5) 0.060(3) Uani 1 1 d . . .
C35 C 0.8062(12) 0.4499(12) 0.1463(6) 0.084(4) Uani 1 1 d . . .
H35A H 0.7890 0.3783 0.1454 0.101 Uiso 1 1 calc R . .
C36 C 0.9123(14) 0.5107(15) 0.1278(8) 0.114(6) Uani 1 1 d . . .
H36A H 0.9664 0.4811 0.1138 0.137 Uiso 1 1 calc R . .
C37 C 0.9376(14) 0.6126(18) 0.1301(7) 0.119(7) Uani 1 1 d . . .
H37A H 1.0098 0.6546 0.1171 0.143 Uiso 1 1 calc R . .
C38 C 0.8609(13) 0.6573(12) 0.1509(6) 0.096(5) Uani 1 1 d . . .
H38A H 0.8802 0.7295 0.1529 0.115 Uiso 1 1 calc R . .
C39 C 0.7521(11) 0.5925(11) 0.1692(6) 0.084(4) Uani 1 1 d . . .
H39A H 0.6983 0.6218 0.1838 0.101 Uiso 1 1 calc R . .
C40 C 0.4479(10) 0.3538(9) 0.1133(5) 0.059(3) Uani 1 1 d . . .
C41 C 0.4627(12) 0.3873(10) 0.0582(5) 0.072(3) Uani 1 1 d . . .
H41A H 0.5395 0.4447 0.0582 0.087 Uiso 1 1 calc R . .
C42 C 0.3618(15) 0.3343(12) 0.0024(6) 0.098(5) Uani 1 1 d . . .
H42A H 0.3713 0.3581 -0.0348 0.117 Uiso 1 1 calc R . .
C43 C 0.2488(15) 0.2482(12) 0.0002(6) 0.101(5) Uani 1 1 d . . .
H43A H 0.1842 0.2120 -0.0381 0.121 Uiso 1 1 calc R . .
C44 C 0.2326(12) 0.2163(11) 0.0553(6) 0.093(4) Uani 1 1 d . . .
H44A H 0.1545 0.1601 0.0551 0.112 Uiso 1 1 calc R . .
C45 C 0.3308(12) 0.2667(10) 0.1107(5) 0.077(4) Uani 1 1 d . . .
H45A H 0.3197 0.2427 0.1476 0.092 Uiso 1 1 calc R . .
C46 C 0.5920(9) 0.2891(8) 0.2064(5) 0.052(3) Uani 1 1 d . . .
C47 C 0.6034(11) 0.2142(11) 0.1629(6) 0.079(4) Uani 1 1 d . . .
H47A H 0.6028 0.2236 0.1218 0.095 Uiso 1 1 calc R . .
C48 C 0.6155(11) 0.1261(10) 0.1812(6) 0.075(3) Uani 1 1 d . . .
H48A H 0.6240 0.0754 0.1525 0.090 Uiso 1 1 calc R . .
C49 C 0.6152(10) 0.1130(8) 0.2416(5) 0.062(3) Uani 1 1 d . . .
H49A H 0.6271 0.0548 0.2548 0.074 Uiso 1 1 calc R . .
C50 C 0.5974(9) 0.1853(7) 0.2827(5) 0.051(3) Uani 1 1 d . . .
C51 C 0.7780(9) 0.2649(7) 0.4057(5) 0.049(2) Uani 1 1 d . . .
C52 C 0.8614(11) 0.3253(9) 0.3750(6) 0.077(4) Uani 1 1 d . . .
H52A H 0.8297 0.3296 0.3333 0.092 Uiso 1 1 calc R . .
C53 C 0.9979(13) 0.3816(11) 0.4083(8) 0.107(5) Uani 1 1 d . . .
H53A H 1.0553 0.4227 0.3875 0.128 Uiso 1 1 calc R . .
C54 C 1.0477(12) 0.3785(10) 0.4679(7) 0.087(4) Uani 1 1 d . . .
H54A H 1.1381 0.4156 0.4879 0.104 Uiso 1 1 calc R . .
C55 C 0.9622(11) 0.3187(10) 0.4997(6) 0.084(4) Uani 1 1 d . . .
H55A H 0.9945 0.3185 0.5421 0.101 Uiso 1 1 calc R . .
C56 C 0.8281(10) 0.2591(9) 0.4681(5) 0.069(3) Uani 1 1 d . . .
H56A H 0.7720 0.2155 0.4886 0.083 Uiso 1 1 calc R . .
C57 C 0.5837(10) 0.0546(7) 0.3827(5) 0.052(3) Uani 1 1 d . . .
C58 C 0.6695(12) 0.0095(9) 0.3723(6) 0.077(4) Uani 1 1 d . . .
H58A H 0.7365 0.0442 0.3540 0.092 Uiso 1 1 calc R . .
C59 C 0.6583(14) -0.0860(10) 0.3885(7) 0.102(5) Uani 1 1 d . . .
H59A H 0.7150 -0.1175 0.3800 0.123 Uiso 1 1 calc R . .
C60 C 0.5611(15) -0.1343(9) 0.4178(6) 0.089(4) Uani 1 1 d . . .
H60A H 0.5555 -0.1973 0.4306 0.107 Uiso 1 1 calc R . .
C61 C 0.4745(11) -0.0929(8) 0.4283(5) 0.065(3) Uani 1 1 d . . .
H61A H 0.4079 -0.1278 0.4468 0.078 Uiso 1 1 calc R . .
C62 C 0.4867(9) 0.0031(7) 0.4110(5) 0.051(2) Uani 1 1 d . . .
H62A H 0.4283 0.0333 0.4187 0.061 Uiso 1 1 calc R . .
Cl1 Cl 0.7201(7) -0.1031(5) 0.1655(3) 0.133(3) Uani 0.60 1 d PD . .
O1 O 0.6161(16) -0.1086(15) 0.1212(8) 0.175(6) Uiso 0.60 1 d PD . .
O2 O 0.751(3) -0.032(2) 0.2187(9) 0.175(6) Uiso 0.40 1 d PD . .
O3 O 0.704(3) -0.1986(14) 0.1778(14) 0.175(6) Uiso 0.40 1 d PD . .
O4 O 0.8288(19) -0.069(3) 0.1408(12) 0.175(6) Uiso 0.40 1 d PD . .
O2' O 0.689(4) -0.111(5) 0.2210(11) 0.175(6) Uiso 0.20 1 d PD . .
O3' O 0.821(3) -0.006(2) 0.174(2) 0.175(6) Uiso 0.20 1 d PD . .
O4' O 0.760(5) -0.179(3) 0.1483(19) 0.175(6) Uiso 0.20 1 d PD . .
Cl2 Cl 0.8400(9) 0.1446(10) 0.0512(4) 0.158(6) Uani 0.40 1 d PD . .
O5 O 0.898(3) 0.078(2) 0.0682(17) 0.157(8) Uiso 0.30 1 d PD . .
O6 O 0.858(3) 0.218(2) 0.1000(12) 0.157(8) Uiso 0.30 1 d PD . .
O7 O 0.7108(18) 0.085(3) 0.0228(14) 0.157(8) Uiso 0.30 1 d PD . .
O8 O 0.896(3) 0.194(2) 0.0085(12) 0.157(8) Uiso 0.30 1 d PD . .
O5' O 0.786(9) 0.047(3) 0.012(3) 0.157(8) Uiso 0.10 1 d PD . .
O6' O 0.753(7) 0.190(7) 0.043(4) 0.157(8) Uiso 0.10 1 d PD . .
O7' O 0.870(8) 0.133(7) 0.1111(16) 0.157(8) Uiso 0.10 1 d PD . .
O8' O 0.950(5) 0.206(6) 0.037(4) 0.157(8) Uiso 0.10 1 d PD . .
O1W O 0.531(3) -0.107(3) 0.0131(15) 0.218(14) Uiso 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C2 Pt1 C1 83.9(4) . . ?
C2 Pt1 P1 92.0(3) . . ?
C1 Pt1 P1 175.6(3) . . ?
C2 Pt1 P3 168.7(3) . . ?
C1 Pt1 P3 84.9(3) . . ?
P1 Pt1 P3 99.28(10) . . ?
C2 Pt1 Cu1 105.5(3) . . ?
C1 Pt1 Cu1 95.9(3) . . ?
P1 Pt1 Cu1 83.87(7) . . ?
P3 Pt1 Cu1 77.16(7) . . ?
C3 Pt2 C4 82.6(4) . . ?
C3 Pt2 P4 91.8(3) . . ?
C4 Pt2 P4 174.4(3) . . ?
C3 Pt2 P2 168.4(3) . . ?
C4 Pt2 P2 86.7(3) . . ?
P4 Pt2 P2 98.92(9) . . ?
C3 Pt2 Cu1 102.9(3) . . ?
C4 Pt2 Cu1 98.9(3) . . ?
P4 Pt2 Cu1 83.10(7) . . ?
P2 Pt2 Cu1 74.34(7) . . ?
N1 Cu1 N2 140.1(3) . . ?
N1 Cu1 Pt1 100.7(2) . . ?
N2 Cu1 Pt1 96.5(2) . . ?
N1 Cu1 Pt2 95.4(2) . . ?
N2 Cu1 Pt2 99.0(2) . . ?
Pt1 Cu1 Pt2 132.67(5) . . ?
C11 P1 C5 102.5(5) . . ?
C11 P1 C17 95.5(4) . . ?
C5 P1 C17 107.1(4) . . ?
C11 P1 Pt1 122.0(3) . . ?
C5 P1 Pt1 112.6(3) . . ?
C17 P1 Pt1 114.9(3) . . ?
C28 P2 C21 106.7(4) . . ?
C28 P2 C22 100.6(5) . . ?
C21 P2 C22 99.9(5) . . ?
C28 P2 Pt2 114.5(4) . . ?
C21 P2 Pt2 106.9(3) . . ?
C22 P2 Pt2 126.2(3) . . ?
C40 P3 C34 102.8(5) . . ?
C40 P3 C46 98.7(5) . . ?
C34 P3 C46 106.7(5) . . ?
C40 P3 Pt1 125.9(4) . . ?
C34 P3 Pt1 108.8(4) . . ?
C46 P3 Pt1 112.2(3) . . ?
C57 P4 C51 100.1(4) . . ?
C57 P4 C50 108.4(5) . . ?
C51 P4 C50 99.7(4) . . ?
C57 P4 Pt2 114.6(3) . . ?
C51 P4 Pt2 119.9(3) . . ?
C50 P4 Pt2 112.5(3) . . ?
C17 N1 C21 120.3(7) . . ?
C17 N1 Cu1 123.1(6) . . ?
C21 N1 Cu1 116.6(6) . . ?
C50 N2 C46 119.3(9) . . ?
C50 N2 Cu1 121.3(6) . . ?
C46 N2 Cu1 113.1(7) . . ?
C10 C5 C6 118.5(10) . . ?
C10 C5 P1 114.7(9) . . ?
C6 C5 P1 126.6(8) . . ?
C5 C6 C7 120.5(13) . . ?
C8 C7 C6 119.4(16) . . ?
C9 C8 C7 120.5(15) . . ?
C8 C9 C10 121.0(15) . . ?
C5 C10 C9 120.1(13) . . ?
C16 C11 C12 116.0(10) . . ?
C16 C11 P1 120.6(7) . . ?
C12 C11 P1 123.4(8) . . ?
C13 C12 C11 121.9(11) . . ?
C12 C13 C14 120.4(11) . . ?
C13 C14 C15 118.4(11) . . ?
C16 C15 C14 120.9(11) . . ?
C15 C16 C11 122.3(10) . . ?
N1 C17 C18 120.1(8) . . ?
N1 C17 P1 117.1(6) . . ?
C18 C17 P1 122.3(7) . . ?
C19 C18 C17 120.2(10) . . ?
C18 C19 C20 120.0(9) . . ?
C21 C20 C19 119.6(9) . . ?
C20 C21 N1 119.6(9) . . ?
C20 C21 P2 127.4(8) . . ?
N1 C21 P2 112.9(6) . . ?
C27 C22 C23 119.3(11) . . ?
C27 C22 P2 118.8(9) . . ?
C23 C22 P2 121.9(10) . . ?
C22 C23 C24 120.1(14) . . ?
C25 C24 C23 121.5(16) . . ?
C24 C25 C26 118.8(14) . . ?
C25 C26 C27 120.0(13) . . ?
C22 C27 C26 120.3(13) . . ?
C33 C28 C29 119.0(10) . . ?
C33 C28 P2 118.8(8) . . ?
C29 C28 P2 122.0(9) . . ?
C30 C29 C28 119.3(11) . . ?
C31 C30 C29 120.7(11) . . ?
C30 C31 C32 120.8(11) . . ?
C31 C32 C33 119.5(11) . . ?
C28 C33 C32 120.6(10) . . ?
C39 C34 C35 118.5(12) . . ?
C39 C34 P3 116.8(10) . . ?
C35 C34 P3 124.7(10) . . ?
C36 C35 C34 122.0(14) . . ?
C37 C36 C35 118.9(17) . . ?
C36 C37 C38 121.4(16) . . ?
C37 C38 C39 118.3(15) . . ?
C34 C39 C38 120.9(14) . . ?
C41 C40 C45 118.2(10) . . ?
C41 C40 P3 123.8(9) . . ?
C45 C40 P3 117.9(8) . . ?
C40 C41 C42 119.1(12) . . ?
C43 C42 C41 122.2(12) . . ?
C44 C43 C42 118.8(12) . . ?
C45 C44 C43 120.0(13) . . ?
C44 C45 C40 121.7(11) . . ?
N2 C46 C47 120.1(10) . . ?
N2 C46 P3 115.0(8) . . ?
C47 C46 P3 124.5(9) . . ?
C48 C47 C46 119.3(12) . . ?
C49 C48 C47 119.7(11) . . ?
C50 C49 C48 119.9(11) . . ?
N2 C50 C49 120.9(10) . . ?
N2 C50 P4 111.7(7) . . ?
C49 C50 P4 127.4(8) . . ?
C52 C51 C56 119.9(9) . . ?
C52 C51 P4 122.5(8) . . ?
C56 C51 P4 117.6(7) . . ?
C51 C52 C53 118.0(11) . . ?
C54 C53 C52 123.3(12) . . ?
C53 C54 C55 118.7(12) . . ?
C54 C55 C56 120.0(12) . . ?
C55 C56 C51 119.9(10) . . ?
C58 C57 C62 118.6(9) . . ?
C58 C57 P4 123.7(8) . . ?
C62 C57 P4 117.5(8) . . ?
C57 C58 C59 121.2(12) . . ?
C58 C59 C60 118.5(12) . . ?
C61 C60 C59 122.0(11) . . ?
C60 C61 C62 118.5(11) . . ?
C57 C62 C61 121.2(10) . . ?
O4' Cl1 O1 111.2(12) . . ?
O4' Cl1 O2 134.7(16) . . ?
O1 Cl1 O2 113.6(11) . . ?
O4' Cl1 O3 44(2) . . ?
O1 Cl1 O3 111.4(10) . . ?
O2 Cl1 O3 110.9(11) . . ?
O4' Cl1 O2' 110.2(12) . . ?
O1 Cl1 O2' 109.8(12) . . ?
O2 Cl1 O2' 47(2) . . ?
O3 Cl1 O2' 70(2) . . ?
O4' Cl1 O3' 109.2(12) . . ?
O1 Cl1 O3' 108.2(11) . . ?
O2 Cl1 O3' 62(2) . . ?
O3 Cl1 O3' 138.4(17) . . ?
O2' Cl1 O3' 108.1(12) . . ?
O4' Cl1 O4 66(2) . . ?
O1 Cl1 O4 106.7(10) . . ?
O2 Cl1 O4 106.1(10) . . ?
O3 Cl1 O4 107.7(11) . . ?
O2' Cl1 O4 141.6(16) . . ?
O3' Cl1 O4 47(2) . . ?
O2' O2 Cl1 67.2(13) . . ?
O2' O2 O3' 125.3(18) . . ?
Cl1 O2 O3' 59.9(12) . . ?
O4' O3 Cl1 68.0(14) . . ?
O4' O3 O2' 119.6(19) . . ?
Cl1 O3 O2' 55.7(12) . . ?
O3' O4 Cl1 64.8(13) . . ?
O3' O4 O4' 115.0(17) . . ?
Cl1 O4 O4' 55.1(12) . . ?
O2 O2' Cl1 65.5(13) . . ?
O2 O2' O3 113.5(18) . . ?
Cl1 O2' O3 54.7(12) . . ?
O4 O3' Cl1 67.7(14) . . ?
O4 O3' O2 121.2(19) . . ?
Cl1 O3' O2 58.1(12) . . ?
O3 O4' Cl1 68.3(14) . . ?
O3 O4' O4 124.3(19) . . ?
Cl1 O4' O4 59.0(13) . . ?
O6 Cl2 O7' 57(4) . . ?
O6 Cl2 O6' 66(4) . . ?
O7' Cl2 O6' 110.5(13) . . ?
O6 Cl2 O7 112.1(12) . . ?
O7' Cl2 O7 110(4) . . ?
O6' Cl2 O7 59(4) . . ?
O6 Cl2 O8' 93(4) . . ?
O7' Cl2 O8' 109.8(13) . . ?
O6' Cl2 O8' 109.2(13) . . ?
O7 Cl2 O8' 140(4) . . ?
O6 Cl2 O5' 158(4) . . ?
O7' Cl2 O5' 108.8(13) . . ?
O6' Cl2 O5' 109.5(13) . . ?
O7 Cl2 O5' 53(4) . . ?
O8' Cl2 O5' 109.1(13) . . ?
O6 Cl2 O5 111.7(12) . . ?
O7' Cl2 O5 58(4) . . ?
O6' Cl2 O5 161(4) . . ?
O7 Cl2 O5 107.9(12) . . ?
O8' Cl2 O5 90(4) . . ?
O5' Cl2 O5 65(4) . . ?
O6 Cl2 O8 108.3(12) . . ?
O7' Cl2 O8 142(4) . . ?
O6' Cl2 O8 90(4) . . ?
O7 Cl2 O8 108.4(12) . . ?
O8' Cl2 O8 32(4) . . ?
O5' Cl2 O8 93(4) . . ?
O5 Cl2 O8 108.3(12) . . ?
O7' O5 Cl2 60.3(19) . . ?
O7' O5 O5' 104(3) . . ?
Cl2 O5 O5' 57.3(19) . . ?
O7' O6 Cl2 62(2) . . ?
O7' O6 O6' 109(3) . . ?
Cl2 O6 O6' 58(2) . . ?
O5' O7 O6' 120(3) . . ?
O5' O7 Cl2 64(2) . . ?
O6' O7 Cl2 60.3(19) . . ?
O8' O8 Cl2 73(2) . . ?
O7 O5' Cl2 63(2) . . ?
O7 O5' O5 110(3) . . ?
Cl2 O5' O5 58(2) . . ?
O7 O6' Cl2 60.3(19) . . ?
O7 O6' O6 105(3) . . ?
Cl2 O6' O6 56.2(19) . . ?
O6 O7' O5 118(3) . . ?
O6 O7' Cl2 60.4(19) . . ?
O5 O7' Cl2 62(2) . . ?
O8 O8' Cl2 75(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C2 2.082(11) . ?
Pt1 C1 2.092(9) . ?
Pt1 P1 2.300(3) . ?
Pt1 P3 2.326(3) . ?
Pt1 Cu1 2.5908(12) . ?
Pt2 C3 2.094(9) . ?
Pt2 C4 2.116(9) . ?
Pt2 P4 2.297(3) . ?
Pt2 P2 2.319(2) . ?
Pt2 Cu1 2.6218(12) . ?
Cu1 N1 1.974(7) . ?
Cu1 N2 1.982(8) . ?
P1 C11 1.807(11) . ?
P1 C5 1.820(10) . ?
P1 C17 1.838(9) . ?
P2 C28 1.832(10) . ?
P2 C21 1.834(10) . ?
P2 C22 1.860(11) . ?
P3 C40 1.819(10) . ?
P3 C34 1.844(11) . ?
P3 C46 1.849(11) . ?
P4 C57 1.835(10) . ?
P4 C51 1.840(9) . ?
P4 C50 1.866(11) . ?
N1 C17 1.355(11) . ?
N1 C21 1.396(11) . ?
N2 C50 1.350(11) . ?
N2 C46 1.359(11) . ?
C5 C10 1.373(14) . ?
C5 C6 1.379(14) . ?
C6 C7 1.390(16) . ?
C7 C8 1.39(2) . ?
C8 C9 1.31(2) . ?
C9 C10 1.406(17) . ?
C11 C16 1.400(13) . ?
C11 C12 1.402(13) . ?
C12 C13 1.372(15) . ?
C13 C14 1.384(15) . ?
C14 C15 1.388(15) . ?
C15 C16 1.354(14) . ?
C17 C18 1.381(12) . ?
C18 C19 1.371(13) . ?
C19 C20 1.381(14) . ?
C20 C21 1.377(13) . ?
C22 C27 1.351(14) . ?
C22 C23 1.369(15) . ?
C23 C24 1.375(18) . ?
C24 C25 1.34(2) . ?
C25 C26 1.378(19) . ?
C26 C27 1.390(15) . ?
C28 C33 1.389(14) . ?
C28 C29 1.407(13) . ?
C29 C30 1.390(14) . ?
C30 C31 1.364(16) . ?
C31 C32 1.377(15) . ?
C32 C33 1.390(13) . ?
C34 C39 1.317(16) . ?
C34 C35 1.355(16) . ?
C35 C36 1.354(17) . ?
C36 C37 1.32(2) . ?
C37 C38 1.35(2) . ?
C38 C39 1.393(15) . ?
C40 C41 1.370(13) . ?
C40 C45 1.400(14) . ?
C41 C42 1.387(16) . ?
C42 C43 1.368(17) . ?
C43 C44 1.364(17) . ?
C44 C45 1.362(15) . ?
C46 C47 1.385(15) . ?
C47 C48 1.369(16) . ?
C48 C49 1.365(15) . ?
C49 C50 1.365(13) . ?
C51 C52 1.362(13) . ?
C51 C56 1.395(13) . ?
C52 C53 1.417(15) . ?
C53 C54 1.326(17) . ?
C54 C55 1.387(16) . ?
C55 C56 1.394(14) . ?
C57 C58 1.368(14) . ?
C57 C62 1.379(12) . ?
C58 C59 1.374(15) . ?
C59 C60 1.383(17) . ?
C60 C61 1.342(16) . ?
C61 C62 1.388(13) . ?
Cl1 O4' 1.327(15) . ?
Cl1 O1 1.328(13) . ?
Cl1 O2 1.330(14) . ?
Cl1 O3 1.331(14) . ?
Cl1 O2' 1.347(15) . ?
Cl1 O3' 1.356(15) . ?
Cl1 O4 1.387(14) . ?
O2 O2' 1.07(5) . ?
O2 O3' 1.38(4) . ?
O3 O4' 0.99(5) . ?
O3 O2' 1.53(4) . ?
O4 O3' 1.10(5) . ?
O4 O4' 1.48(5) . ?
Cl2 O6 1.308(15) . ?
Cl2 O7' 1.333(16) . ?
Cl2 O6' 1.337(16) . ?
Cl2 O7 1.338(15) . ?
Cl2 O8' 1.338(16) . ?
Cl2 O5' 1.345(16) . ?
Cl2 O5 1.351(15) . ?
Cl2 O8 1.352(15) . ?
O5 O7' 1.30(7) . ?
O5 O5' 1.45(7) . ?
O6 O7' 1.27(7) . ?
O6 O6' 1.44(7) . ?
O7 O5' 1.20(8) . ?
O7 O6' 1.33(7) . ?
O8 O8' 0.74(8) . ?
