#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:47:05 +0100 (lun 21 de mar de 2016) $
#$Revision: 178723 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/34/4083468.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_4083468
loop_
_publ_author_name
'Au, Richard H. W.'
'Fraser, Christopher S. A.'
'Eisler, Dana J.'
'Jennings, Michael C.'
'Puddephatt, Richard J.'
_publ_section_title
;
 Binuclear Organoplatinum(IV) Complexes with Bridging Xylenediyl Groups:
 Formation of Supramolecular Polymers through Hydrogen Bonding
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1719
_journal_paper_doi               10.1021/om800889j
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C60 H78 N6 O4 Pt2, 4(C3 H6 O), 2(F6 P)'
_chemical_formula_sum            'C72 H102 F12 N6 O8 P2 Pt2'
_chemical_formula_weight         1859.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 94.103(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.9208(3)
_cell_length_b                   15.9474(5)
_cell_length_c                   21.1665(5)
_cell_measurement_reflns_used    110157
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.04
_cell_volume                     4013.56(19)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_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  0.0550
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            40558
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.603
_exptl_absorpt_correction_T_max  0.6140
_exptl_absorpt_correction_T_min  0.4112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.835
_refine_diff_density_min         -1.120
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     473
_refine_ls_number_reflns         7062
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0479
_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)+(0.0368P)²+21.8767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1215
_reflns_number_gt                5617
_reflns_number_total             7062
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om800889j_si_001.cif
_cod_data_source_block           12(PF6)2.4Me2CO
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4083468
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
Pt Pt 0.71878(2) 0.62287(2) 0.062893(12) 0.05179(12) Uani 1 1 d .
C1 C 0.6360(7) 0.5644(6) -0.0126(4) 0.072(2) Uani 1 1 d .
H1A H 0.5549 0.5653 -0.0076 0.107 Uiso 1 1 calc R
H1B H 0.6616 0.5061 -0.0147 0.107 Uiso 1 1 calc R
H1C H 0.6517 0.5936 -0.0517 0.107 Uiso 1 1 calc R
C2 C 0.6534(7) 0.7343(5) 0.0276(4) 0.067(2) Uani 1 1 d .
H2A H 0.6083 0.7237 -0.0121 0.100 Uiso 1 1 calc R
H2B H 0.7149 0.7728 0.0197 0.100 Uiso 1 1 calc R
H2C H 0.6058 0.7594 0.0584 0.100 Uiso 1 1 calc R
N11 N 0.8123(5) 0.6755(4) 0.1428(3) 0.0540(15) Uani 1 1 d .
C12 C 0.8117(6) 0.7563(6) 0.1581(4) 0.068(2) Uani 1 1 d .
H12A H 0.7679 0.7940 0.1318 0.081 Uiso 1 1 calc R
C13 C 0.8728(7) 0.7871(6) 0.2110(5) 0.079(3) Uani 1 1 d .
H13A H 0.8708 0.8453 0.2205 0.094 Uiso 1 1 calc R
C14 C 0.9368(7) 0.7334(6) 0.2501(4) 0.072(2) Uani 1 1 d .
C15 C 0.9384(6) 0.6499(6) 0.2327(4) 0.066(2) Uani 1 1 d .
H15A H 0.9849 0.6117 0.2569 0.079 Uiso 1 1 calc R
C16 C 0.8734(6) 0.6214(5) 0.1808(3) 0.0529(17) Uani 1 1 d .
C17 C 0.8699(6) 0.5327(5) 0.1601(3) 0.0537(18) Uani 1 1 d .
C18 C 0.9330(6) 0.4696(5) 0.1895(4) 0.061(2) Uani 1 1 d .
H18A H 0.9807 0.4825 0.2261 0.073 Uiso 1 1 calc R
C19 C 0.9287(7) 0.3875(5) 0.1671(4) 0.065(2) Uani 1 1 d .
C20 C 0.8566(7) 0.3736(5) 0.1138(5) 0.070(2) Uani 1 1 d .
H20A H 0.8500 0.3188 0.0964 0.084 Uiso 1 1 calc R
C21 C 0.7948(7) 0.4372(5) 0.0859(4) 0.061(2) Uani 1 1 d .
H21A H 0.7464 0.4249 0.0495 0.073 Uiso 1 1 calc R
N22 N 0.7991(5) 0.5152(4) 0.1071(3) 0.0515(14) Uani 1 1 d .
C23 C 1.0029(9) 0.7667(7) 0.3101(5) 0.096(4) Uani 1 1 d .
C24 C 0.9216(11) 0.7871(18) 0.3559(8) 0.288(17) Uani 1 1 d .
H24A H 0.8874 0.7354 0.3705 0.432 Uiso 1 1 calc R
H24B H 0.8630 0.8234 0.3359 0.432 Uiso 1 1 calc R
H24C H 0.9597 0.8163 0.3920 0.432 Uiso 1 1 calc R
C25 C 1.0699(16) 0.8437(9) 0.2916(9) 0.212(11) Uani 1 1 d .
H25A H 1.0185 0.8908 0.2826 0.318 Uiso 1 1 calc R
H25B H 1.1097 0.8309 0.2538 0.318 Uiso 1 1 calc R
H25C H 1.1246 0.8587 0.3266 0.318 Uiso 1 1 calc R
C26 C 1.0906(10) 0.7096(9) 0.3339(6) 0.129(5) Uani 1 1 d .
H26A H 1.1354 0.7361 0.3690 0.194 Uiso 1 1 calc R
H26B H 1.1393 0.6960 0.2999 0.194 Uiso 1 1 calc R
H26C H 1.0565 0.6580 0.3489 0.194 Uiso 1 1 calc R
C27 C 1.0005(8) 0.3196(6) 0.1999(5) 0.078(3) Uani 1 1 d .
C28 C 1.0014(11) 0.2387(7) 0.1604(6) 0.107(4) Uani 1 1 d .
H28A H 1.0301 0.2510 0.1191 0.160 Uiso 1 1 calc R
H28B H 0.9248 0.2165 0.1541 0.160 Uiso 1 1 calc R
H28C H 1.0501 0.1971 0.1827 0.160 Uiso 1 1 calc R
C29 C 0.9484(10) 0.2986(7) 0.2622(5) 0.104(4) Uani 1 1 d .
H29A H 0.9972 0.2592 0.2867 0.156 Uiso 1 1 calc R
H29B H 0.8742 0.2732 0.2529 0.156 Uiso 1 1 calc R
H29C H 0.9405 0.3501 0.2867 0.156 Uiso 1 1 calc R
C30 C 1.1208(9) 0.3492(8) 0.2107(6) 0.116(4) Uani 1 1 d .
H30A H 1.1685 0.3022 0.2259 0.174 Uiso 1 1 calc R
H30B H 1.1250 0.3941 0.2424 0.174 Uiso 1 1 calc R
H30C H 1.1468 0.3704 0.1708 0.174 Uiso 1 1 calc R
N31 N 0.5732(5) 0.6059(4) 0.1203(3) 0.0594(17) Uani 1 1 d .
C32 C 0.5867(7) 0.5772(5) 0.1794(4) 0.060(2) Uani 1 1 d .
H32A H 0.6606 0.5652 0.1968 0.073 Uiso 1 1 calc R
C33 C 0.4974(7) 0.5643(5) 0.2163(4) 0.068(2) Uani 1 1 d .
H33A H 0.5098 0.5448 0.2586 0.081 Uiso 1 1 calc R
C34 C 0.3888(7) 0.5804(5) 0.1904(4) 0.063(2) Uani 1 1 d .
C35 C 0.3752(7) 0.6113(6) 0.1298(4) 0.070(2) Uani 1 1 d .
H35A H 0.3021 0.6236 0.1112 0.084 Uiso 1 1 calc R
C36 C 0.4684(6) 0.6242(6) 0.0962(4) 0.066(2) Uani 1 1 d .
H36A H 0.4585 0.6469 0.0546 0.079 Uiso 1 1 calc R
C37 C 0.2861(9) 0.5644(6) 0.2259(5) 0.077(3) Uani 1 1 d .
O38 O 0.1921(6) 0.5754(5) 0.2051(4) 0.101(2) Uani 1 1 d .
O39 O 0.3154(6) 0.5361(5) 0.2835(4) 0.096(2) Uani 1 1 d .
H39A H 0.2578 0.5201 0.3007 0.144 Uiso 1 1 calc R
C41 C 0.8512(7) 0.6442(6) 0.0059(4) 0.069(2) Uani 1 1 d .
H41A H 0.8199 0.6589 -0.0372 0.083 Uiso 1 1 calc R
H41B H 0.8951 0.6929 0.0229 0.083 Uiso 1 1 calc R
C42 C 0.9283(7) 0.5715(6) 0.0015(4) 0.062(2) Uani 1 1 d .
C43 C 0.9111(7) 0.5087(6) -0.0441(4) 0.065(2) Uani 1 1 d .
H43A H 0.8497 0.5141 -0.0750 0.098 Uiso 1 1 calc R
C44 C 1.0207(7) 0.5604(6) 0.0462(4) 0.065(2) Uani 1 1 d .
H44A H 1.0359 0.6014 0.0782 0.097 Uiso 1 1 calc R
P50 P 0.7552(3) 0.5216(2) 0.35779(13) 0.0963(9) Uani 1 1 d .
F51 F 0.7738(12) 0.5695(5) 0.4204(3) 0.211(6) Uani 1 1 d .
F52 F 0.7347(7) 0.6064(4) 0.3190(3) 0.123(2) Uani 1 1 d .
F53 F 0.7390(7) 0.4727(4) 0.2934(3) 0.127(2) Uani 1 1 d .
F54 F 0.7763(7) 0.4364(4) 0.3954(3) 0.121(2) Uani 1 1 d .
F55 F 0.6261(8) 0.5143(7) 0.3652(4) 0.187(4) Uani 1 1 d .
F56 F 0.8870(6) 0.5273(5) 0.3474(4) 0.140(3) Uani 1 1 d .
C61 C 0.068(2) 0.8510(15) 0.0183(10) 0.279(16) Uani 1 1 d D
H61A H 0.0820 0.9069 0.0366 0.418 Uiso 1 1 calc R
H61B H -0.0098 0.8346 0.0232 0.418 Uiso 1 1 calc R
H61C H 0.0819 0.8522 -0.0269 0.418 Uiso 1 1 calc R
C62 C 0.148(2) 0.7873(17) 0.0526(9) 0.23(2) Uani 1 1 d D
C63 C 0.1359(16) 0.7881(13) 0.1239(7) 0.199(9) Uani 1 1 d D
H63A H 0.0789 0.7470 0.1343 0.299 Uiso 1 1 calc R
H63B H 0.1128 0.8441 0.1369 0.299 Uiso 1 1 calc R
H63C H 0.2081 0.7736 0.1463 0.299 Uiso 1 1 calc R
O64 O 0.219(2) 0.7356(15) 0.0297(8) 0.255(13) Uani 1 1 d .
C71 C 0.178(2) 0.5469(10) 0.4427(7) 0.267(15) Uani 1 1 d D
H71A H 0.2270 0.5820 0.4183 0.401 Uiso 1 1 calc R
H71B H 0.2200 0.5282 0.4817 0.401 Uiso 1 1 calc R
H71C H 0.1125 0.5795 0.4533 0.401 Uiso 1 1 calc R
C72 C 0.1403(9) 0.4718(8) 0.4038(6) 0.117(5) Uani 1 1 d D
C73 C 0.0712(12) 0.4049(10) 0.4345(7) 0.157(7) Uani 1 1 d D
H73A H 0.0484 0.4255 0.4753 0.235 Uiso 1 1 calc R
H73B H 0.1166 0.3540 0.4413 0.235 Uiso 1 1 calc R
H73C H 0.0041 0.3921 0.4067 0.235 Uiso 1 1 calc R
O74 O 0.1587(8) 0.4700(7) 0.3499(4) 0.159(4) Uani 1 1 d 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'
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'
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
C1 Pt C2 87.8(4) .
C1 Pt C41 88.0(3) .
C2 Pt C41 86.1(4) .
C1 Pt N11 175.7(3) .
C2 Pt N11 96.4(3) .
C41 Pt N11 91.2(3) .
C1 Pt N22 98.7(3) .
C2 Pt N22 173.4(3) .
C41 Pt N22 92.9(3) .
N11 Pt N22 77.1(2) .
C1 Pt N31 91.1(3) .
C2 Pt N31 90.8(3) .
C41 Pt N31 176.8(3) .
N11 Pt N31 89.9(2) .
N22 Pt N31 90.3(2) .
Pt C1 H1A 109.5 .
Pt C1 H1B 109.5 .
H1A C1 H1B 109.5 .
Pt C1 H1C 109.5 .
H1A C1 H1C 109.5 .
H1B C1 H1C 109.5 .
Pt C2 H2A 109.5 .
Pt C2 H2B 109.5 .
H2A C2 H2B 109.5 .
Pt C2 H2C 109.5 .
H2A C2 H2C 109.5 .
H2B C2 H2C 109.5 .
C12 N11 C16 119.1(7) .
C12 N11 Pt 124.3(5) .
C16 N11 Pt 116.6(5) .
N11 C12 C13 122.0(8) .
N11 C12 H12A 119.0 .
C13 C12 H12A 119.0 .
C14 C13 C12 120.0(8) .
C14 C13 H13A 120.0 .
C12 C13 H13A 120.0 .
C15 C14 C13 117.1(8) .
C15 C14 C23 122.4(8) .
C13 C14 C23 120.5(8) .
C16 C15 C14 120.9(8) .
C16 C15 H15A 119.6 .
C14 C15 H15A 119.6 .
N11 C16 C15 120.8(8) .
N11 C16 C17 115.5(6) .
C15 C16 C17 123.6(7) .
C18 C17 N22 120.0(7) .
C18 C17 C16 124.2(7) .
N22 C17 C16 115.8(7) .
C17 C18 C19 121.8(8) .
C17 C18 H18A 119.1 .
C19 C18 H18A 119.1 .
C20 C19 C18 115.7(8) .
C20 C19 C27 123.7(9) .
C18 C19 C27 120.6(9) .
C21 C20 C19 121.2(8) .
C21 C20 H20A 119.4 .
C19 C20 H20A 119.4 .
N22 C21 C20 123.1(8) .
N22 C21 H21A 118.4 .
C20 C21 H21A 118.4 .
C21 N22 C17 118.2(7) .
C21 N22 Pt 126.8(6) .
C17 N22 Pt 114.8(5) .
C26 C23 C24 114.0(14) .
C26 C23 C25 102.5(11) .
C24 C23 C25 112.0(15) .
C26 C23 C14 112.6(8) .
C24 C23 C14 107.5(9) .
C25 C23 C14 108.2(10) .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C23 C25 H25A 109.5 .
C23 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C23 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C23 C26 H26A 109.5 .
C23 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C23 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C30 C27 C19 110.1(8) .
C30 C27 C29 112.1(10) .
C19 C27 C29 107.4(7) .
C30 C27 C28 107.4(9) .
C19 C27 C28 112.0(9) .
C29 C27 C28 107.7(8) .
C27 C28 H28A 109.5 .
C27 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
C27 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
C27 C29 H29A 109.5 .
C27 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C27 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C27 C30 H30A 109.5 .
C27 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C27 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C32 N31 C36 118.5(7) .
C32 N31 Pt 120.9(5) .
C36 N31 Pt 120.6(5) .
N31 C32 C33 122.5(8) .
N31 C32 H32A 118.8 .
C33 C32 H32A 118.8 .
C32 C33 C34 118.9(8) .
C32 C33 H33A 120.6 .
C34 C33 H33A 120.6 .
C35 C34 C33 118.5(7) .
C35 C34 C37 118.8(8) .
C33 C34 C37 122.6(9) .
C34 C35 C36 119.4(8) .
C34 C35 H35A 120.3 .
C36 C35 H35A 120.3 .
N31 C36 C35 122.2(8) .
N31 C36 H36A 118.9 .
C35 C36 H36A 118.9 .
O38 C37 O39 124.9(9) .
O38 C37 C34 124.7(10) .
O39 C37 C34 110.3(9) .
C37 O39 H39A 109.5 .
C42 C41 Pt 114.0(5) .
C42 C41 H41A 108.8 .
Pt C41 H41A 108.8 .
C42 C41 H41B 108.8 .
Pt C41 H41B 108.8 .
H41A C41 H41B 107.7 .
C43 C42 C44 116.3(8) .
C43 C42 C41 122.8(8) .
C44 C42 C41 120.8(8) .
C44 C43 C42 122.7(8) 3_765
C44 C43 H43A 118.6 3_765
C42 C43 H43A 118.6 .
C43 C44 C42 121.0(8) 3_765
C43 C44 H44A 119.5 3_765
C42 C44 H44A 119.5 .
F51 P50 F55 91.9(7) .
F51 P50 F53 178.6(7) .
F55 P50 F53 89.5(5) .
F51 P50 F54 89.1(4) .
F55 P50 F54 90.5(5) .
F53 P50 F54 91.0(4) .
F51 P50 F52 91.7(4) .
F55 P50 F52 89.9(5) .
F53 P50 F52 88.2(4) .
F54 P50 F52 179.1(4) .
F51 P50 F56 90.4(6) .
F55 P50 F56 177.7(6) .
F53 P50 F56 88.3(5) .
F54 P50 F56 89.7(4) .
F52 P50 F56 89.8(4) .
C62 C61 H61A 109.5 .
C62 C61 H61B 109.5 .
H61A C61 H61B 109.5 .
C62 C61 H61C 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
O64 C62 C63 119(2) .
O64 C62 C61 130(2) .
C63 C62 C61 111(2) .
C62 C63 H63A 109.5 .
C62 C63 H63B 109.5 .
H63A C63 H63B 109.5 .
C62 C63 H63C 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
C72 C71 H71A 109.5 .
C72 C71 H71B 109.5 .
H71A C71 H71B 109.5 .
C72 C71 H71C 109.5 .
H71A C71 H71C 109.5 .
H71B C71 H71C 109.5 .
O74 C72 C71 118.7(12) .
O74 C72 C73 122.7(13) .
C71 C72 C73 118.4(13) .
C72 C73 H73A 109.5 .
C72 C73 H73B 109.5 .
H73A C73 H73B 109.5 .
C72 C73 H73C 109.5 .
H73A C73 H73C 109.5 .
H73B C73 H73C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt C1 2.043(7) .
Pt C2 2.059(8) .
Pt C41 2.082(7) .
Pt N11 2.131(6) .
Pt N22 2.148(6) .
Pt N31 2.205(6) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
N11 C12 1.328(10) .
N11 C16 1.354(9) .
C12 C13 1.383(11) .
C12 H12A 0.9500 .
C13 C14 1.382(12) .
C13 H13A 0.9500 .
C14 C15 1.381(12) .
C14 C23 1.540(11) .
C15 C16 1.376(10) .
C15 H15A 0.9500 .
C16 C17 1.481(11) .
C17 C18 1.378(11) .
C17 N22 1.384(9) .
C18 C19 1.391(11) .
C18 H18A 0.9500 .
C19 C20 1.387(12) .
C19 C27 1.518(12) .
C20 C21 1.363(12) .
C20 H20A 0.9500 .
C21 N22 1.321(10) .
C21 H21A 0.9500 .
C23 C26 1.449(14) .
C23 C24 1.456(17) .
C23 C25 1.53(2) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C30 1.511(14) .
C27 C29 1.533(12) .
C27 C28 1.539(14) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
N31 C32 1.330(10) .
N31 C36 1.347(10) .
C32 C33 1.380(10) .
C32 H32A 0.9500 .
C33 C34 1.393(12) .
C33 H33A 0.9500 .
C34 C35 1.374(12) .
C34 C37 1.504(11) .
C35 C36 1.377(11) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 O38 1.187(12) .
C37 O39 1.322(12) .
O39 H39A 0.8400 .
C41 C42 1.487(12) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 C43 1.396(11) .
C42 C44 1.410(11) .
C43 C44 1.372(12) 3_765
C43 H43A 0.9500 .
C44 C43 1.372(12) 3_765
C44 H44A 0.9500 .
P50 F51 1.532(8) .
P50 F55 1.562(9) .
P50 F53 1.570(7) .
P50 F54 1.586(7) .
P50 F52 1.592(7) .
P50 F56 1.605(8) .
C61 C62 1.538(18) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 O64 1.30(4) .
C62 C63 1.526(17) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C71 C72 1.505(14) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 O74 1.177(13) .
C72 C73 1.522(13) .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O39 H39A O74 0.84 1.81 2.637(10) 165.7
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_4
C1 Pt N11 C12 168(4) .
C2 Pt N11 C12 3.0(7) .
C41 Pt N11 C12 89.2(7) .
N22 Pt N11 C12 -178.1(7) .
N31 Pt N11 C12 -87.8(7) .
C1 Pt N11 C16 -14(4) .
C2 Pt N11 C16 -178.8(5) .
C41 Pt N11 C16 -92.6(6) .
N22 Pt N11 C16 0.1(5) .
N31 Pt N11 C16 90.4(5) .
C16 N11 C12 C13 0.9(12) .
Pt N11 C12 C13 179.1(7) .
N11 C12 C13 C14 -0.2(15) .
C12 C13 C14 C15 1.6(14) .
C12 C13 C14 C23 -178.5(9) .
C13 C14 C15 C16 -3.8(14) .
C23 C14 C15 C16 176.3(9) .
C12 N11 C16 C15 -3.1(11) .
Pt N11 C16 C15 178.6(6) .
C12 N11 C16 C17 -179.6(7) .
Pt N11 C16 C17 2.0(8) .
C14 C15 C16 N11 4.7(13) .
C14 C15 C16 C17 -179.1(8) .
N11 C16 C17 C18 174.8(7) .
C15 C16 C17 C18 -1.6(12) .
N11 C16 C17 N22 -4.1(9) .
C15 C16 C17 N22 179.5(7) .
N22 C17 C18 C19 0.6(11) .
C16 C17 C18 C19 -178.3(7) .
C17 C18 C19 C20 -0.4(11) .
C17 C18 C19 C27 179.1(7) .
C18 C19 C20 C21 0.1(11) .
C27 C19 C20 C21 -179.4(7) .
C19 C20 C21 N22 0.0(12) .
C20 C21 N22 C17 0.1(10) .
C20 C21 N22 Pt 173.8(5) .
C18 C17 N22 C21 -0.4(10) .
C16 C17 N22 C21 178.5(6) .
C18 C17 N22 Pt -174.8(5) .
C16 C17 N22 Pt 4.1(7) .
C1 Pt N22 C21 2.8(6) .
C2 Pt N22 C21 -166(2) .
C41 Pt N22 C21 -85.6(6) .
N11 Pt N22 C21 -176.2(6) .
N31 Pt N22 C21 94.0(6) .
C1 Pt N22 C17 176.7(5) .
C2 Pt N22 C17 7(3) .
C41 Pt N22 C17 88.2(5) .
N11 Pt N22 C17 -2.3(4) .
N31 Pt N22 C17 -92.1(5) .
C15 C14 C23 C26 18.0(16) .
C13 C14 C23 C26 -161.9(11) .
C15 C14 C23 C24 -108.4(16) .
C13 C14 C23 C24 71.7(18) .
C15 C14 C23 C25 130.5(12) .
C13 C14 C23 C25 -49.4(14) .
C20 C19 C27 C30 130.6(10) .
C18 C19 C27 C30 -48.9(11) .
C20 C19 C27 C29 -107.0(10) .
C18 C19 C27 C29 73.5(10) .
C20 C19 C27 C28 11.1(11) .
C18 C19 C27 C28 -168.4(8) .
C1 Pt N31 C32 133.2(7) .
C2 Pt N31 C32 -139.0(6) .
C41 Pt N31 C32 -152(5) .
N11 Pt N31 C32 -42.6(6) .
N22 Pt N31 C32 34.5(6) .
C1 Pt N31 C36 -46.7(7) .
C2 Pt N31 C36 41.1(7) .
C41 Pt N31 C36 28(5) .
N11 Pt N31 C36 137.5(6) .
N22 Pt N31 C36 -145.4(6) .
C36 N31 C32 C33 1.2(12) .
Pt N31 C32 C33 -178.7(6) .
N31 C32 C33 C34 1.2(13) .
C32 C33 C34 C35 -2.2(13) .
C32 C33 C34 C37 177.1(8) .
C33 C34 C35 C36 0.9(13) .
C37 C34 C35 C36 -178.4(8) .
C32 N31 C36 C35 -2.5(12) .
Pt N31 C36 C35 177.4(6) .
C34 C35 C36 N31 1.5(13) .
C35 C34 C37 O38 1.1(15) .
C33 C34 C37 O38 -178.2(10) .
C35 C34 C37 O39 -179.0(8) .
C33 C34 C37 O39 1.6(12) .
C1 Pt C41 C42 -82.2(7) .
C2 Pt C41 C42 -170.0(7) .
N11 Pt C41 C42 93.6(6) .
N22 Pt C41 C42 16.4(6) .
N31 Pt C41 C42 -157(5) .
Pt C41 C42 C43 88.8(8) .
Pt C41 C42 C44 -87.9(8) .
C44 C42 C43 C44 0.0(12) 3_765
C41 C42 C43 C44 -176.8(7) 3_765
C43 C42 C44 C43 0.0(12) 3_765
C41 C42 C44 C43 176.9(7) 3_765
