#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/80/4318085.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_4318085
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 B Cu F4 N2 O0.5 P4 Pt2'
_chemical_formula_weight         1504.52
_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                96.2870(10)
_cell_angle_beta                 99.7220(10)
_cell_angle_gamma                111.2790(10)
_cell_formula_units_Z            2
_cell_length_a                   11.3173(4)
_cell_length_b                   13.7285(5)
_cell_length_c                   22.1019(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3098.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0434
_diffrn_reflns_av_sigmaI/netI    0.1233
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            21254
_diffrn_reflns_theta_full        28.01
_diffrn_reflns_theta_max         28.01
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    4.998
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.444197
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1470
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.615
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         14688
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      0.880
_refine_ls_R_factor_all          0.1073
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0535P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                7949
_reflns_number_total             14688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011293f_3.cif
_cod_data_source_block           compd4
_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        3098.88(19)
_cod_original_formula_sum        'C62 H59 B Cu F4 N2 O0.50 P4 Pt2'
_cod_database_code               4318085
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 0.57650(3) 0.51855(3) 0.275901(17) 0.04152(11) Uani 1 1 d . . .
Pt2 Pt 0.45530(3) 0.24476(3) 0.398426(16) 0.03899(10) Uani 1 1 d . . .
C1 C 0.7722(8) 0.5448(7) 0.3137(5) 0.056(3) Uani 1 1 d . . .
H1A H 0.8279 0.6146 0.3098 0.085 Uiso 1 1 calc R . .
H1B H 0.7950 0.4926 0.2915 0.085 Uiso 1 1 calc R . .
H1C H 0.7827 0.5391 0.3571 0.085 Uiso 1 1 calc R . .
C2 C 0.6034(10) 0.6195(9) 0.3608(5) 0.081(4) Uani 1 1 d . . .
H2A H 0.6425 0.6923 0.3563 0.121 Uiso 1 1 calc R . .
H2B H 0.6592 0.6055 0.3934 0.121 Uiso 1 1 calc R . .
H2C H 0.5207 0.6065 0.3712 0.121 Uiso 1 1 calc R . .
C3 C 0.5928(10) 0.3674(8) 0.4666(5) 0.066(3) Uani 1 1 d . . .
H3A H 0.5952 0.3453 0.5064 0.100 Uiso 1 1 calc R . .
H3B H 0.5702 0.4285 0.4683 0.100 Uiso 1 1 calc R . .
H3C H 0.6768 0.3853 0.4569 0.100 Uiso 1 1 calc R . .
C4 C 0.3290(9) 0.3082(8) 0.4307(4) 0.058(3) Uani 1 1 d . . .
H4A H 0.3120 0.2852 0.4690 0.087 Uiso 1 1 calc R . .
H4B H 0.2487 0.2838 0.4000 0.087 Uiso 1 1 calc R . .
H4C H 0.3687 0.3845 0.4380 0.087 Uiso 1 1 calc R . .
Cu1 Cu 0.47096(10) 0.32719(8) 0.29717(5) 0.0426(3) Uani 1 1 d . . .
P1 P 0.3627(2) 0.49801(18) 0.24276(11) 0.0416(5) Uani 1 1 d . . .
P2 P 0.2764(2) 0.12710(18) 0.32287(11) 0.0410(5) Uani 1 1 d . . .
P3 P 0.5946(2) 0.41485(19) 0.19030(11) 0.0436(6) Uani 1 1 d . . .
P4 P 0.6129(2) 0.19054(18) 0.37137(11) 0.0410(5) Uani 1 1 d . . .
N1 N 0.2850(6) 0.3002(5) 0.2745(3) 0.0385(17) Uani 1 1 d . . .
N2 N 0.5961(6) 0.2735(5) 0.2678(3) 0.0368(16) Uani 1 1 d . . .
C5 C 0.3257(9) 0.5190(8) 0.1630(4) 0.045(2) Uani 1 1 d . . .
C6 C 0.2272(10) 0.4539(9) 0.1150(5) 0.061(3) Uani 1 1 d . . .
H6A H 0.1714 0.3885 0.1210 0.073 Uiso 1 1 calc R . .
C7 C 0.2081(12) 0.4826(13) 0.0573(6) 0.084(4) Uani 1 1 d . . .
H7A H 0.1423 0.4350 0.0246 0.101 Uiso 1 1 calc R . .
C8 C 0.2823(14) 0.5772(14) 0.0478(6) 0.089(4) Uani 1 1 d . . .
H8A H 0.2639 0.5976 0.0097 0.107 Uiso 1 1 calc R . .
C9 C 0.3856(15) 0.6445(12) 0.0938(7) 0.092(5) Uani 1 1 d . . .
H9A H 0.4418 0.7082 0.0862 0.111 Uiso 1 1 calc R . .
C10 C 0.4067(11) 0.6164(9) 0.1536(5) 0.066(3) Uani 1 1 d . . .
H10A H 0.4741 0.6630 0.1860 0.079 Uiso 1 1 calc R . .
C11 C 0.2913(8) 0.5792(7) 0.2835(4) 0.039(2) Uani 1 1 d . . .
C12 C 0.2352(10) 0.6394(8) 0.2546(5) 0.063(3) Uani 1 1 d . . .
H12A H 0.2370 0.6438 0.2131 0.075 Uiso 1 1 calc R . .
C13 C 0.1743(11) 0.6953(10) 0.2867(6) 0.075(3) Uani 1 1 d . . .
H13A H 0.1369 0.7368 0.2668 0.090 Uiso 1 1 calc R . .
C14 C 0.1713(11) 0.6874(9) 0.3467(5) 0.071(3) Uani 1 1 d . . .
H14A H 0.1318 0.7238 0.3685 0.085 Uiso 1 1 calc R . .
C15 C 0.2270(9) 0.6252(8) 0.3762(5) 0.059(3) Uani 1 1 d . . .
H15A H 0.2244 0.6195 0.4175 0.071 Uiso 1 1 calc R . .
C16 C 0.2852(9) 0.5728(8) 0.3442(5) 0.055(3) Uani 1 1 d . . .
H16A H 0.3221 0.5311 0.3643 0.066 Uiso 1 1 calc R . .
C17 C 0.2405(8) 0.3693(7) 0.2484(4) 0.040(2) Uani 1 1 d . . .
C18 C 0.1057(9) 0.3472(7) 0.2338(5) 0.054(3) Uani 1 1 d . . .
H18A H 0.0763 0.3953 0.2164 0.064 Uiso 1 1 calc R . .
C19 C 0.0193(10) 0.2562(9) 0.2450(5) 0.071(3) Uani 1 1 d . . .
H19A H -0.0695 0.2409 0.2345 0.086 Uiso 1 1 calc R . .
C20 C 0.0644(9) 0.1861(8) 0.2723(5) 0.062(3) Uani 1 1 d . . .
H20A H 0.0065 0.1250 0.2819 0.074 Uiso 1 1 calc R . .
C21 C 0.2003(8) 0.2089(7) 0.2855(4) 0.042(2) Uani 1 1 d . . .
C22 C 0.2820(9) 0.0422(7) 0.2525(5) 0.050(2) Uani 1 1 d . . .
C23 C 0.2355(13) 0.0508(10) 0.1933(6) 0.089(4) Uani 1 1 d . . .
H23A H 0.2008 0.1017 0.1866 0.107 Uiso 1 1 calc R . .
C24 C 0.2397(19) -0.0143(14) 0.1446(7) 0.144(7) Uani 1 1 d . . .
H24A H 0.2033 -0.0105 0.1044 0.173 Uiso 1 1 calc R . .
C25 C 0.2964(16) -0.0865(11) 0.1526(7) 0.108(5) Uani 1 1 d . . .
H25A H 0.3050 -0.1271 0.1184 0.130 Uiso 1 1 calc R . .
C26 C 0.3401(11) -0.0971(9) 0.2123(6) 0.079(3) Uani 1 1 d . . .
H26A H 0.3751 -0.1477 0.2191 0.095 Uiso 1 1 calc R . .
C27 C 0.3318(10) -0.0332(8) 0.2614(5) 0.066(3) Uani 1 1 d . . .
H27A H 0.3606 -0.0410 0.3019 0.079 Uiso 1 1 calc R . .
C28 C 0.1522(9) 0.0286(7) 0.3532(5) 0.049(2) Uani 1 1 d . . .
C29 C 0.0470(10) -0.0558(8) 0.3123(5) 0.062(3) Uani 1 1 d . . .
H29A H 0.0364 -0.0607 0.2693 0.074 Uiso 1 1 calc R . .
C30 C -0.0396(11) -0.1306(8) 0.3370(7) 0.078(4) Uani 1 1 d . . .
H30A H -0.1129 -0.1835 0.3104 0.093 Uiso 1 1 calc R . .
C31 C -0.0193(12) -0.1286(10) 0.4013(7) 0.083(4) Uani 1 1 d . . .
H31A H -0.0765 -0.1817 0.4172 0.099 Uiso 1 1 calc R . .
C32 C 0.0886(11) -0.0454(10) 0.4420(6) 0.076(3) Uani 1 1 d . . .
H32A H 0.1026 -0.0426 0.4850 0.091 Uiso 1 1 calc R . .
C33 C 0.1718(9) 0.0308(8) 0.4174(5) 0.057(3) Uani 1 1 d . . .
H33A H 0.2432 0.0854 0.4440 0.068 Uiso 1 1 calc R . .
C34 C 0.7426(8) 0.4896(8) 0.1635(4) 0.048(2) Uani 1 1 d . . .
C35 C 0.8253(10) 0.4488(9) 0.1442(5) 0.062(3) Uani 1 1 d . . .
H35A H 0.8101 0.3775 0.1443 0.075 Uiso 1 1 calc R . .
C36 C 0.9300(11) 0.5110(11) 0.1249(6) 0.085(4) Uani 1 1 d . . .
H36A H 0.9860 0.4817 0.1120 0.103 Uiso 1 1 calc R . .
C37 C 0.9556(11) 0.6167(11) 0.1238(6) 0.078(4) Uani 1 1 d . . .
H37A H 1.0277 0.6594 0.1107 0.094 Uiso 1 1 calc R . .
C38 C 0.8733(11) 0.6546(10) 0.1421(6) 0.079(4) Uani 1 1 d . . .
H38A H 0.8868 0.7250 0.1402 0.095 Uiso 1 1 calc R . .
C39 C 0.7675(10) 0.5944(8) 0.1642(5) 0.065(3) Uani 1 1 d . . .
H39A H 0.7146 0.6251 0.1792 0.078 Uiso 1 1 calc R . .
C40 C 0.4735(9) 0.3554(8) 0.1163(4) 0.047(2) Uani 1 1 d . . .
C41 C 0.4861(10) 0.3901(9) 0.0619(5) 0.057(3) Uani 1 1 d . . .
H41A H 0.5596 0.4491 0.0612 0.069 Uiso 1 1 calc R . .
C42 C 0.3933(13) 0.3406(12) 0.0079(6) 0.085(4) Uani 1 1 d . . .
H42A H 0.4037 0.3662 -0.0289 0.102 Uiso 1 1 calc R . .
C43 C 0.2865(13) 0.2542(11) 0.0081(6) 0.087(4) Uani 1 1 d . . .
H43A H 0.2234 0.2196 -0.0285 0.104 Uiso 1 1 calc R . .
C44 C 0.2725(12) 0.2187(10) 0.0622(6) 0.080(3) Uani 1 1 d . . .
H44A H 0.1997 0.1589 0.0625 0.096 Uiso 1 1 calc R . .
C45 C 0.3625(11) 0.2690(9) 0.1157(5) 0.067(3) Uani 1 1 d . . .
H45A H 0.3495 0.2449 0.1527 0.081 Uiso 1 1 calc R . .
C46 C 0.6114(8) 0.2923(7) 0.2112(4) 0.042(2) Uani 1 1 d . . .
C47 C 0.6277(9) 0.2188(8) 0.1693(4) 0.052(2) Uani 1 1 d . . .
H47A H 0.6311 0.2293 0.1286 0.063 Uiso 1 1 calc R . .
C48 C 0.6390(10) 0.1289(7) 0.1884(5) 0.059(3) Uani 1 1 d . . .
H48A H 0.6468 0.0769 0.1605 0.070 Uiso 1 1 calc R . .
C49 C 0.6383(9) 0.1186(7) 0.2495(5) 0.051(2) Uani 1 1 d . . .
H49A H 0.6539 0.0627 0.2644 0.061 Uiso 1 1 calc R . .
C50 C 0.6151(8) 0.1898(7) 0.2878(4) 0.041(2) Uani 1 1 d . . .
C51 C 0.7830(8) 0.2686(7) 0.4075(5) 0.046(2) Uani 1 1 d . . .
C52 C 0.8649(12) 0.3315(10) 0.3773(6) 0.087(4) Uani 1 1 d . . .
H52A H 0.8341 0.3372 0.3366 0.104 Uiso 1 1 calc R . .
C53 C 0.9993(12) 0.3898(12) 0.4071(8) 0.116(6) Uani 1 1 d . . .
H53A H 1.0554 0.4325 0.3856 0.139 Uiso 1 1 calc R . .
C54 C 1.0454(11) 0.3829(11) 0.4670(7) 0.094(4) Uani 1 1 d . . .
H54A H 1.1328 0.4204 0.4861 0.112 Uiso 1 1 calc R . .
C55 C 0.9621(11) 0.3202(10) 0.4991(6) 0.084(4) Uani 1 1 d . . .
H55A H 0.9906 0.3160 0.5403 0.101 Uiso 1 1 calc R . .
C56 C 0.8329(10) 0.2633(9) 0.4667(5) 0.070(3) Uani 1 1 d . . .
H56A H 0.7770 0.2184 0.4873 0.084 Uiso 1 1 calc R . .
C57 C 0.6008(9) 0.0602(7) 0.3876(4) 0.044(2) Uani 1 1 d . . .
C58 C 0.6859(10) 0.0144(8) 0.3775(5) 0.063(3) Uani 1 1 d . . .
H58A H 0.7553 0.0504 0.3603 0.076 Uiso 1 1 calc R . .
C59 C 0.6725(11) -0.0830(8) 0.3918(5) 0.069(3) Uani 1 1 d . . .
H59A H 0.7297 -0.1140 0.3829 0.083 Uiso 1 1 calc R . .
C60 C 0.5720(12) -0.1352(8) 0.4199(5) 0.072(3) Uani 1 1 d . . .
H60A H 0.5654 -0.1997 0.4316 0.087 Uiso 1 1 calc R . .
C61 C 0.4845(10) -0.0944(8) 0.4305(5) 0.059(3) Uani 1 1 d . . .
H61A H 0.4153 -0.1316 0.4474 0.070 Uiso 1 1 calc R . .
C62 C 0.4998(9) 0.0062(7) 0.4155(4) 0.051(2) Uani 1 1 d . . .
H62A H 0.4421 0.0368 0.4242 0.061 Uiso 1 1 calc R . .
B1 B 0.7564(10) -0.1002(8) 0.1747(5) 0.109(9) Uiso 0.668(5) 1 d PD . .
F1 F 0.6563(11) -0.1007(11) 0.1306(5) 0.158(6) Uiso 0.668(5) 1 d PD . .
F2 F 0.7938(9) -0.0183(7) 0.2239(4) 0.101(3) Uiso 0.668(5) 1 d PD . .
F3 F 0.7197(13) -0.1932(9) 0.1966(6) 0.171(6) Uiso 0.668(5) 1 d PD . .
F4 F 0.8642(12) -0.0864(12) 0.1512(6) 0.178(6) Uiso 0.668(5) 1 d PD . .
O1W O 0.510(3) 0.068(2) -0.0018(13) 0.180(10) Uiso 0.50 1 d P . .
B2 B 0.891(3) 0.105(2) 0.0545(13) 0.288(13) Uiso 0.332(5) 1 d PD . .
F5 F 0.989(3) 0.103(3) 0.0988(17) 0.288(13) Uiso 0.332(5) 1 d PD . .
F6 F 0.775(3) 0.044(3) 0.067(2) 0.288(13) Uiso 0.332(5) 1 d PD . .
F7 F 0.896(4) 0.206(2) 0.053(2) 0.288(13) Uiso 0.332(5) 1 d PD . .
F8 F 0.900(4) 0.063(3) -0.0026(15) 0.288(13) Uiso 0.332(5) 1 d PD . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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
C1 Pt1 C2 81.7(4) . . ?
C1 Pt1 P1 175.0(3) . . ?
C2 Pt1 P1 93.3(3) . . ?
C1 Pt1 P3 85.8(3) . . ?
C2 Pt1 P3 167.5(3) . . ?
P1 Pt1 P3 99.19(8) . . ?
C1 Pt1 Cu1 97.5(3) . . ?
C2 Pt1 Cu1 104.9(3) . . ?
P1 Pt1 Cu1 83.24(6) . . ?
P3 Pt1 Cu1 77.40(6) . . ?
C3 Pt2 C4 82.1(4) . . ?
C3 Pt2 P4 91.3(3) . . ?
C4 Pt2 P4 173.4(3) . . ?
C3 Pt2 P2 168.7(3) . . ?
C4 Pt2 P2 87.4(3) . . ?
P4 Pt2 P2 99.17(8) . . ?
C3 Pt2 Cu1 102.5(3) . . ?
C4 Pt2 Cu1 98.1(3) . . ?
P4 Pt2 Cu1 83.24(6) . . ?
P2 Pt2 Cu1 74.92(6) . . ?
N1 Cu1 N2 138.8(3) . . ?
N1 Cu1 Pt1 101.6(2) . . ?
N2 Cu1 Pt1 96.44(19) . . ?
N1 Cu1 Pt2 94.6(2) . . ?
N2 Cu1 Pt2 98.75(19) . . ?
Pt1 Cu1 Pt2 134.27(5) . . ?
C5 P1 C17 107.7(4) . . ?
C5 P1 C11 101.4(4) . . ?
C17 P1 C11 95.3(4) . . ?
C5 P1 Pt1 112.8(3) . . ?
C17 P1 Pt1 115.1(3) . . ?
C11 P1 Pt1 122.2(3) . . ?
C21 P2 C28 107.5(4) . . ?
C21 P2 C22 100.1(4) . . ?
C28 P2 C22 100.8(4) . . ?
C21 P2 Pt2 105.9(3) . . ?
C28 P2 Pt2 114.9(3) . . ?
C22 P2 Pt2 125.8(3) . . ?
C40 P3 C34 101.9(4) . . ?
C40 P3 C46 98.8(4) . . ?
C34 P3 C46 106.9(4) . . ?
C40 P3 Pt1 126.3(3) . . ?
C34 P3 Pt1 110.0(3) . . ?
C46 P3 Pt1 111.1(3) . . ?
C51 P4 C57 100.0(4) . . ?
C51 P4 C50 100.7(4) . . ?
C57 P4 C50 107.9(4) . . ?
C51 P4 Pt2 119.7(3) . . ?
C57 P4 Pt2 115.1(3) . . ?
C50 P4 Pt2 111.7(3) . . ?
C21 N1 C17 120.1(7) . . ?
C21 N1 Cu1 117.4(5) . . ?
C17 N1 Cu1 122.5(5) . . ?
C46 N2 C50 120.0(7) . . ?
C46 N2 Cu1 112.6(5) . . ?
C50 N2 Cu1 121.2(5) . . ?
C6 C5 C10 118.7(9) . . ?
C6 C5 P1 127.9(8) . . ?
C10 C5 P1 113.3(8) . . ?
C5 C6 C7 121.3(11) . . ?
C8 C7 C6 120.9(13) . . ?
C7 C8 C9 120.1(13) . . ?
C8 C9 C10 119.5(13) . . ?
C5 C10 C9 119.1(12) . . ?
C12 C11 C16 118.1(8) . . ?
C12 C11 P1 123.0(7) . . ?
C16 C11 P1 118.7(6) . . ?
C11 C12 C13 121.1(9) . . ?
C14 C13 C12 118.8(10) . . ?
C13 C14 C15 120.4(10) . . ?
C16 C15 C14 119.5(9) . . ?
C15 C16 C11 122.1(9) . . ?
N1 C17 C18 120.5(7) . . ?
N1 C17 P1 117.3(6) . . ?
C18 C17 P1 121.8(6) . . ?
C19 C18 C17 120.2(8) . . ?
C18 C19 C20 119.5(9) . . ?
C19 C20 C21 119.3(9) . . ?
N1 C21 C20 120.3(8) . . ?
N1 C21 P2 114.5(6) . . ?
C20 C21 P2 125.0(7) . . ?
C23 C22 C27 119.4(10) . . ?
C23 C22 P2 122.6(8) . . ?
C27 C22 P2 118.0(8) . . ?
C24 C23 C22 119.7(12) . . ?
C23 C24 C25 121.7(14) . . ?
C26 C25 C24 118.4(13) . . ?
C27 C26 C25 119.5(12) . . ?
C26 C27 C22 121.1(11) . . ?
C33 C28 C29 119.7(9) . . ?
C33 C28 P2 119.0(8) . . ?
C29 C28 P2 120.9(8) . . ?
C30 C29 C28 119.0(11) . . ?
C29 C30 C31 121.0(12) . . ?
C30 C31 C32 119.6(11) . . ?
C33 C32 C31 119.0(11) . . ?
C32 C33 C28 121.5(11) . . ?
C35 C34 C39 119.1(9) . . ?
C35 C34 P3 125.7(8) . . ?
C39 C34 P3 115.2(7) . . ?
C36 C35 C34 120.5(10) . . ?
C35 C36 C37 121.5(11) . . ?
C38 C37 C36 117.1(11) . . ?
C37 C38 C39 123.1(11) . . ?
C34 C39 C38 118.6(10) . . ?
C41 C40 C45 117.5(10) . . ?
C41 C40 P3 124.4(8) . . ?
C45 C40 P3 118.1(7) . . ?
C40 C41 C42 121.5(11) . . ?
C43 C42 C41 119.9(11) . . ?
C44 C43 C42 119.2(12) . . ?
C45 C44 C43 120.8(12) . . ?
C44 C45 C40 121.0(10) . . ?
N2 C46 C47 120.4(8) . . ?
N2 C46 P3 116.6(6) . . ?
C47 C46 P3 122.7(7) . . ?
C46 C47 C48 119.3(8) . . ?
C49 C48 C47 118.4(8) . . ?
C50 C49 C48 120.0(8) . . ?
N2 C50 C49 121.2(8) . . ?
N2 C50 P4 112.5(6) . . ?
C49 C50 P4 126.3(7) . . ?
C52 C51 C56 117.3(9) . . ?
C52 C51 P4 122.4(8) . . ?
C56 C51 P4 120.2(7) . . ?
C51 C52 C53 120.6(11) . . ?
C54 C53 C52 120.2(11) . . ?
C53 C54 C55 119.9(11) . . ?
C54 C55 C56 116.9(12) . . ?
C51 C56 C55 125.0(10) . . ?
C58 C57 C62 117.9(8) . . ?
C58 C57 P4 125.0(7) . . ?
C62 C57 P4 117.0(6) . . ?
C57 C58 C59 122.0(9) . . ?
C58 C59 C60 119.2(9) . . ?
C61 C60 C59 121.4(9) . . ?
C60 C61 C62 118.6(9) . . ?
C57 C62 C61 120.7(9) . . ?
F1 B1 F3 109.9(8) . . ?
F1 B1 F2 111.7(8) . . ?
F3 B1 F2 108.4(8) . . ?
F1 B1 F4 111.3(8) . . ?
F3 B1 F4 109.6(8) . . ?
F2 B1 F4 105.8(8) . . ?
F5 B2 F7 112.3(10) . . ?
F5 B2 F8 108.5(10) . . ?
F7 B2 F8 108.8(10) . . ?
F5 B2 F6 108.3(10) . . ?
F7 B2 F6 109.7(10) . . ?
F8 B2 F6 109.2(10) . . ?
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 C1 2.113(8) . ?
Pt1 C2 2.113(10) . ?
Pt1 P1 2.309(2) . ?
Pt1 P3 2.324(2) . ?
Pt1 Cu1 2.5946(11) . ?
Pt2 C3 2.068(10) . ?
Pt2 C4 2.103(8) . ?
Pt2 P4 2.306(2) . ?
Pt2 P2 2.322(2) . ?
Pt2 Cu1 2.6197(11) . ?
Cu1 N1 1.963(7) . ?
Cu1 N2 1.983(6) . ?
P1 C5 1.821(9) . ?
P1 C17 1.840(8) . ?
P1 C11 1.840(8) . ?
P2 C21 1.830(8) . ?
P2 C28 1.842(9) . ?
P2 C22 1.864(10) . ?
P3 C40 1.833(10) . ?
P3 C34 1.852(8) . ?
P3 C46 1.858(9) . ?
P4 C51 1.813(9) . ?
P4 C57 1.824(8) . ?
P4 C50 1.851(9) . ?
N1 C21 1.351(10) . ?
N1 C17 1.361(10) . ?
N2 C46 1.332(10) . ?
N2 C50 1.349(9) . ?
C5 C6 1.355(13) . ?
C5 C10 1.380(13) . ?
C6 C7 1.381(14) . ?
C7 C8 1.328(17) . ?
C8 C9 1.365(18) . ?
C9 C10 1.423(15) . ?
C11 C12 1.361(11) . ?
C11 C16 1.367(12) . ?
C12 C13 1.414(13) . ?
C13 C14 1.347(14) . ?
C14 C15 1.387(14) . ?
C15 C16 1.357(12) . ?
C17 C18 1.415(11) . ?
C18 C19 1.358(12) . ?
C19 C20 1.390(13) . ?
C20 C21 1.424(12) . ?
C22 C23 1.359(14) . ?
C22 C27 1.364(13) . ?
C23 C24 1.340(17) . ?
C24 C25 1.374(18) . ?
C25 C26 1.371(17) . ?
C26 C27 1.356(14) . ?
C28 C33 1.394(13) . ?
C28 C29 1.408(13) . ?
C29 C30 1.373(13) . ?
C30 C31 1.397(16) . ?
C31 C32 1.413(17) . ?
C32 C33 1.364(13) . ?
C34 C35 1.355(11) . ?
C34 C39 1.360(12) . ?
C35 C36 1.354(13) . ?
C36 C37 1.376(16) . ?
C37 C38 1.317(14) . ?
C38 C39 1.387(12) . ?
C40 C41 1.351(12) . ?
C40 C45 1.376(13) . ?
C41 C42 1.368(15) . ?
C42 C43 1.353(16) . ?
C43 C44 1.351(15) . ?
C44 C45 1.347(14) . ?
C46 C47 1.377(11) . ?
C47 C48 1.389(12) . ?
C48 C49 1.374(12) . ?
C49 C50 1.350(11) . ?
C51 C52 1.345(13) . ?
C51 C56 1.354(13) . ?
C52 C53 1.432(16) . ?
C53 C54 1.364(17) . ?
C54 C55 1.379(16) . ?
C55 C56 1.399(14) . ?
C57 C58 1.362(11) . ?
C57 C62 1.401(11) . ?
C58 C59 1.369(13) . ?
C59 C60 1.391(13) . ?
C60 C61 1.342(13) . ?
C61 C62 1.412(12) . ?
B1 F1 1.361(5) . ?
B1 F3 1.362(5) . ?
B1 F2 1.362(5) . ?
B1 F4 1.365(5) . ?
O1W O1W 1.81(5) 2_655 ?
B2 F5 1.363(5) . ?
B2 F7 1.364(5) . ?
B2 F8 1.366(5) . ?
B2 F6 1.366(5) . ?
