#------------------------------------------------------------------------------
#$Date: 2017-11-14 10:02:11 +0200 (Tue, 14 Nov 2017) $
#$Revision: 203148 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/80/1548023.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_1548023
loop_
_publ_author_name
'Christopher H. Hendon'
'Aron Walsh'
'Norinobu Akiyama'
'Yosuke Konno'
'Takashi Kajiwara'
'Tasuku Ito'
'Hiroshi Kitagawa'
'Ken Sakai'
_publ_section_title
;
 One-dimensional Magnus-type platinum double salts
;
_journal_name_full               'Nature Communications'
_journal_page_first              11950
_journal_paper_doi               10.1038/ncomms11950
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C34 H47 N6 O15.5 Pt3'
_chemical_formula_weight         1373.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 101.1850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.7199(6)
_cell_length_b                   9.6901(3)
_cell_length_c                   23.7454(8)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.07
_cell_measurement_theta_min      2.22
_cell_volume                     4225.5(2)
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device
'Bruker SMART APEX CCD-detector diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            29259
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    9.981
_exptl_absorpt_correction_T_max  0.69484
_exptl_absorpt_correction_T_min  0.40331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.158
_exptl_crystal_description       plate
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.368
_refine_diff_density_min         -0.854
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       not_refined
_refine_ls_extinction_expression not_defined
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.911
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         12295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.911
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0331
_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)+(0.0235P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0607
_refine_ls_wR_factor_ref         0.0678
_reflns_d_resolution_high        0.7091
_reflns_number_gt                7733
_reflns_number_total             12295
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ncomms11950-s3.cif
_cod_data_source_block           pvorang_rev2k
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/n  '
_cod_database_code               1548023
_shelx_title
' Ptorang in P2(1)/n  2016/01/22 13:14:24 028 KENX'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            937.40
_shelx_f_squared_multiplier      1.000
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt2 Pt 0.664013(10) 0.81175(2) 0.968740(8) 0.03053(5) Uani 1 1 d . . .
Pt1 Pt 0.827233(10) 0.81373(2) 0.978133(8) 0.03139(5) Uani 1 1 d . A .
Pt3 Pt 1.0000 1.0000 1.0000 0.05445(11) Uani 1 2 d S . .
Pt4 Pt 0.49547(2) 0.97758(6) 0.943783(18) 0.02912(9) Uani 0.50 1 d P . .
O1A O 0.69060(19) 0.9744(4) 1.02220(16) 0.0359(9) Uani 0.50 1 d P A 1
N1A N 0.8112(2) 0.9886(4) 1.02009(17) 0.0395(9) Uani 0.50 1 d P A 1
H1A H 0.8496 1.0424 1.0292 0.047 Uiso 0.50 1 calc PR A 1
O2A O 0.6756(2) 0.9322(4) 0.90196(16) 0.0403(9) Uani 0.50 1 d P A 1
N2A N 0.79601(19) 0.9118(4) 0.90178(15) 0.0361(9) Uani 0.50 1 d P A 1
H2A H 0.8294 0.9217 0.8806 0.043 Uiso 0.50 1 calc PR A 1
N1B N 0.69060(19) 0.9744(4) 1.02220(16) 0.0359(9) Uani 0.50 1 d P A 2
H1B H 0.6557 1.0089 1.0380 0.043 Uiso 0.50 1 calc PR A 2
O1B O 0.8112(2) 0.9886(4) 1.02009(17) 0.0395(9) Uani 0.50 1 d P A 2
N2B N 0.6756(2) 0.9322(4) 0.90196(16) 0.0403(9) Uani 0.50 1 d P A 2
H2B H 0.6352 0.9717 0.8840 0.048 Uiso 0.50 1 calc PR A 2
O2B O 0.79601(19) 0.9118(4) 0.90178(15) 0.0361(9) Uani 0.50 1 d P A 2
O3 O 0.9775(2) 1.0941(4) 0.9230(2) 0.0629(12) Uani 1 1 d . A .
O4 O 1.0016(2) 0.8321(4) 0.9501(2) 0.0620(12) Uani 1 1 d . A .
O6 O 0.9800(2) 0.7705(5) 0.8583(2) 0.0705(14) Uani 1 1 d . . .
O5 O 0.9603(3) 1.0470(5) 0.8300(2) 0.0802(15) Uani 1 1 d . A .
O14 O 0.5827(3) 0.7832(4) 0.73541(18) 0.0679(12) Uani 1 1 d . . .
N6 N 0.6295(2) 0.6453(4) 0.92128(18) 0.0352(10) Uani 1 1 d . A .
N5 N 0.6418(2) 0.6875(4) 1.03069(17) 0.0365(10) Uani 1 1 d . A .
N4 N 0.8547(2) 0.6412(4) 0.94197(17) 0.0315(9) Uani 1 1 d . . .
N3 N 0.8662(2) 0.7071(4) 1.04885(16) 0.0324(9) Uani 1 1 d . . .
C30 C 0.6244(3) 0.6339(6) 0.8638(2) 0.0408(12) Uani 1 1 d . . .
H30 H 0.6403 0.7080 0.8431 0.049 Uiso 1 1 calc R A .
C29 C 0.5966(3) 0.5169(6) 0.8350(2) 0.0468(14) Uani 1 1 d . A .
H29 H 0.5940 0.5110 0.7947 0.056 Uiso 1 1 calc R . .
C20 C 0.8470(3) 0.6175(6) 0.8847(2) 0.0394(12) Uani 1 1 d . A .
H20 H 0.8229 0.6843 0.8584 0.047 Uiso 1 1 calc R . .
C19 C 0.8730(3) 0.4998(5) 0.8638(2) 0.0398(12) Uani 1 1 d . . .
H19 H 0.8681 0.4865 0.8236 0.048 Uiso 1 1 calc R A .
C18 C 0.9063(3) 0.4013(5) 0.9014(2) 0.0378(12) Uani 1 1 d . A .
H18 H 0.9239 0.3185 0.8876 0.045 Uiso 1 1 calc R . .
C17 C 0.9137(3) 0.4242(5) 0.9594(2) 0.0357(12) Uani 1 1 d . . .
H17 H 0.9365 0.3568 0.9860 0.043 Uiso 1 1 calc R A .
C16 C 0.8881(2) 0.5450(5) 0.9790(2) 0.0307(11) Uani 1 1 d . A .
C15 C 0.8937(2) 0.5810(5) 1.0400(2) 0.0298(11) Uani 1 1 d . A .
C14 C 0.9240(3) 0.4960(6) 1.0850(2) 0.0405(13) Uani 1 1 d . . .
H14 H 0.9430 0.4083 1.0778 0.049 Uiso 1 1 calc R A .
C28 C 0.5728(3) 0.4096(6) 0.8632(3) 0.0495(15) Uani 1 1 d . . .
H28 H 0.5531 0.3292 0.8430 0.059 Uiso 1 1 calc R A .
C27 C 0.5780(3) 0.4204(5) 0.9220(2) 0.0422(13) Uani 1 1 d . A .
H27 H 0.5626 0.3463 0.9430 0.051 Uiso 1 1 calc R . .
C26 C 0.6058(2) 0.5404(5) 0.9502(2) 0.0358(12) Uani 1 1 d . . .
C25 C 0.6118(3) 0.5635(5) 1.0123(2) 0.0363(12) Uani 1 1 d . A .
C24 C 0.5888(3) 0.4719(6) 1.0491(3) 0.0467(14) Uani 1 1 d . . .
H24 H 0.5667 0.3871 1.0352 0.056 Uiso 1 1 calc R A .
C23 C 0.5985(3) 0.5052(7) 1.1068(3) 0.0572(17) Uani 1 1 d . A .
H23 H 0.5839 0.4426 1.1332 0.069 Uiso 1 1 calc R . .
C11 C 0.8684(3) 0.7486(6) 1.1029(2) 0.0473(14) Uani 1 1 d . A .
H11 H 0.8489 0.8363 1.1097 0.057 Uiso 1 1 calc R . .
C12 C 0.8984(3) 0.6665(6) 1.1495(2) 0.0527(16) Uani 1 1 d . . .
H12 H 0.8994 0.6981 1.1875 0.063 Uiso 1 1 calc R A .
C13 C 0.9264(3) 0.5402(6) 1.1403(2) 0.0493(15) Uani 1 1 d . A .
H13 H 0.9473 0.4835 1.1719 0.059 Uiso 1 1 calc R . .
C31 C 0.9720(3) 1.0120(7) 0.8799(4) 0.065(2) Uani 1 1 d . . .
C32 C 0.9854(3) 0.8577(7) 0.8960(3) 0.0555(17) Uani 1 1 d . A .
C4 C 0.7516(4) 1.2857(6) 1.0285(3) 0.0648(18) Uani 1 1 d . . .
H4A H 0.7547 1.3735 1.0493 0.097 Uiso 1 1 calc R . .
H4B H 0.7044 1.2793 1.0022 0.097 Uiso 1 1 calc R . .
H4C H 0.7908 1.2807 1.0065 0.097 Uiso 1 1 calc R . .
C3 C 0.7002(3) 1.1722(7) 1.1070(3) 0.0653(19) Uani 1 1 d . . .
H3A H 0.7038 1.0905 1.1317 0.098 Uiso 1 1 calc R . .
H3B H 0.6523 1.1740 1.0815 0.098 Uiso 1 1 calc R . .
H3C H 0.7064 1.2555 1.1308 0.098 Uiso 1 1 calc R . .
C7 C 0.7290(3) 1.0551(5) 0.8296(2) 0.0366(12) Uani 1 1 d . A .
C9 C 0.6518(3) 1.0956(6) 0.8027(2) 0.0499(15) Uani 1 1 d . . .
H9A H 0.6238 1.0127 0.7890 0.075 Uiso 1 1 calc R . .
H9B H 0.6525 1.1581 0.7704 0.075 Uiso 1 1 calc R . .
H9C H 0.6291 1.1422 0.8314 0.075 Uiso 1 1 calc R . .
C8 C 0.7649(3) 0.9822(7) 0.7851(2) 0.0603(17) Uani 1 1 d . . .
H8A H 0.7402 0.8943 0.7743 0.090 Uiso 1 1 calc R . .
H8B H 0.8163 0.9649 0.8015 0.090 Uiso 1 1 calc R . .
H8C H 0.7613 1.0408 0.7510 0.090 Uiso 1 1 calc R . .
C10 C 0.7740(4) 1.1861(6) 0.8518(3) 0.067(2) Uani 1 1 d . . .
H10A H 0.7821 1.2413 0.8191 0.101 Uiso 1 1 calc R . .
H10B H 0.8210 1.1582 0.8749 0.101 Uiso 1 1 calc R . .
H10C H 0.7471 1.2410 0.8755 0.101 Uiso 1 1 calc R . .
C6 C 0.7329(3) 0.9606(5) 0.8813(2) 0.0312(11) Uani 1 1 d . . .
C1 C 0.7536(3) 1.0325(5) 1.0354(2) 0.0330(11) Uani 1 1 d . . .
C2 C 0.7593(3) 1.1665(5) 1.0712(2) 0.0370(12) Uani 1 1 d . A .
C21 C 0.6502(3) 0.7200(7) 1.0862(2) 0.0524(15) Uani 1 1 d . . .
H21 H 0.6709 0.8065 1.0992 0.063 Uiso 1 1 calc R A .
C22 C 0.6292(3) 0.6293(7) 1.1254(3) 0.0560(16) Uani 1 1 d . A .
H22 H 0.6361 0.6533 1.1649 0.067 Uiso 1 1 calc R . .
C5 C 0.8328(3) 1.1767(6) 1.1114(3) 0.067(2) Uani 1 1 d . . .
H5A H 0.8334 1.2575 1.1363 0.100 Uiso 1 1 calc R A .
H5B H 0.8712 1.1859 1.0888 0.100 Uiso 1 1 calc R . .
H5C H 0.8413 1.0931 1.1350 0.100 Uiso 1 1 calc R . .
O11 O 0.4985(13) 1.084(2) 0.8707(5) 0.054(3) Uani 0.50 1 d P . .
O10 O 0.4748(9) 0.8185(16) 0.8904(4) 0.035(3) Uani 0.50 1 d P . .
C35 C 0.4656(6) 0.8528(11) 0.8363(5) 0.039(2) Uani 0.50 1 d P . .
C36 C 0.4709(6) 1.0073(12) 0.8266(5) 0.043(3) Uani 0.50 1 d P . .
O7 O 0.51386(19) 1.1320(4) 0.99088(17) 0.0490(10) Uani 1 1 d . . .
C34 C 0.5093(5) 1.1082(12) 1.0511(4) 0.027(2) Uani 0.50 1 d P . .
C33 C 0.4931(7) 0.9515(12) 1.0610(5) 0.040(3) Uani 0.50 1 d P . .
O8 O 0.4907(15) 0.921(2) 1.1081(5) 0.072(5) Uani 0.50 1 d P . .
O9 O 0.5156(9) 1.1986(17) 1.0873(5) 0.040(3) Uani 0.50 1 d P . .
O15 O 0.4668(3) 0.3181(5) 0.7432(2) 0.1003(19) Uani 1 1 d . . .
O16 O 0.2612(5) 0.6666(10) 0.7069(4) 0.091(3) Uani 0.50 1 d P . .
O17 O 0.2839(6) 0.9533(11) 0.7340(5) 0.174(6) Uani 0.744(16) 1 d P . .
O12 O 0.4565(3) 0.7920(6) 0.79525(19) 0.0979(19) Uani 1 1 d . . .
O13 O 0.4554(7) 1.0556(11) 0.7767(4) 0.075(3) Uani 0.50 1 d P . .
O19 O 0.4007(8) 1.0804(13) 0.7836(5) 0.103(5) Uani 0.50 1 d P A .
O18A O 0.4077(8) 0.555(2) 0.7485(9) 0.106(6) Uani 0.50 1 d P . .
O18B O 0.3691(6) 0.5472(18) 0.7445(9) 0.073(4) Uani 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'
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
N6 Pt2 N5 80.74(17) . .
N6 Pt2 N2B 95.50(16) . .
N5 Pt2 N2B 173.93(15) . .
N6 Pt2 O2A 95.50(16) . .
N5 Pt2 O2A 173.93(15) . .
N6 Pt2 O1A 173.55(16) . .
N5 Pt2 O1A 93.91(16) . .
O2A Pt2 O1A 89.53(16) . .
N6 Pt2 N1B 173.55(16) . .
N5 Pt2 N1B 93.91(16) . .
N2B Pt2 N1B 89.53(16) . .
N6 Pt2 Pt1 104.95(11) . .
N5 Pt2 Pt1 107.48(11) . .
N2B Pt2 Pt1 78.03(11) . .
O2A Pt2 Pt1 78.03(11) . .
O1A Pt2 Pt1 80.01(10) . .
N1B Pt2 Pt1 80.01(10) . .
N6 Pt2 Pt4 95.35(11) . .
N5 Pt2 Pt4 95.26(12) . .
N2B Pt2 Pt4 80.28(11) . .
O2A Pt2 Pt4 80.28(11) . .
O1A Pt2 Pt4 81.49(10) . .
N1B Pt2 Pt4 81.49(10) . .
Pt1 Pt2 Pt4 151.470(13) . .
N3 Pt1 N4 81.07(16) . .
N3 Pt1 N1A 94.86(16) . .
N4 Pt1 N1A 173.39(16) . .
N3 Pt1 O1B 94.86(16) . .
N4 Pt1 O1B 173.39(16) . .
N1A Pt1 O1B 0.0(3) . .
N3 Pt1 N2A 173.53(16) . .
N4 Pt1 N2A 93.52(15) . .
N1A Pt1 N2A 90.19(16) . .
N3 Pt1 O2B 173.53(16) . .
N4 Pt1 O2B 93.52(15) . .
N1A Pt1 O2B 90.19(16) . .
O1B Pt1 O2B 90.19(16) . .
N3 Pt1 Pt2 105.03(11) . .
N4 Pt1 Pt2 107.77(11) . .
N1A Pt1 Pt2 78.26(11) . .
O1B Pt1 Pt2 78.26(11) . .
N2A Pt1 Pt2 79.93(10) . .
O2B Pt1 Pt2 79.93(10) . .
N3 Pt1 Pt3 88.12(11) . .
N4 Pt1 Pt3 100.38(11) . .
N1A Pt1 Pt3 74.17(11) . .
O1B Pt1 Pt3 74.17(11) . .
N2A Pt1 Pt3 89.38(10) . .
O2B Pt1 Pt3 89.38(10) . .
Pt2 Pt1 Pt3 150.345(8) . .
O3 Pt3 O3 180.000(2) 3_777 .
O3 Pt3 O4 98.25(18) 3_777 .
O3 Pt3 O4 81.75(18) . .
O3 Pt3 O4 81.75(18) 3_777 3_777
O3 Pt3 O4 98.25(18) . 3_777
O4 Pt3 O4 180.000(1) . 3_777
O3 Pt3 Pt1 85.90(13) 3_777 .
O3 Pt3 Pt1 94.10(13) . .
O4 Pt3 Pt1 68.36(12) . .
O4 Pt3 Pt1 111.64(12) 3_777 .
C33 Pt4 C34 168.9(12) 3_677 3_677
C33 Pt4 O8 39.7(11) 3_677 3_677
C34 Pt4 O8 137.0(10) 3_677 3_677
C33 Pt4 O9 144.4(10) 3_677 3_677
C34 Pt4 O9 31.5(7) 3_677 3_677
O8 Pt4 O9 105.8(9) 3_677 3_677
C33 Pt4 O7 46.7(9) 3_677 .
C34 Pt4 O7 135.7(6) 3_677 .
O8 Pt4 O7 86.2(8) 3_677 .
O9 Pt4 O7 166.6(3) 3_677 .
C33 Pt4 O7 135.8(8) 3_677 3_677
C34 Pt4 O7 46.5(6) 3_677 3_677
O8 Pt4 O7 174.8(8) 3_677 3_677
O9 Pt4 O7 78.0(4) 3_677 3_677
O7 Pt4 O7 89.69(16) . 3_677
C33 Pt4 O10 130.9(9) 3_677 .
C34 Pt4 O10 46.9(7) 3_677 .
O8 Pt4 O10 91.3(8) 3_677 .
O9 Pt4 O10 16.0(4) 3_677 .
O7 Pt4 O10 177.3(3) . .
O7 Pt4 O10 92.8(3) 3_677 .
C33 Pt4 O11 48.5(10) 3_677 .
C34 Pt4 O11 129.9(9) 3_677 .
O8 Pt4 O11 10.0(13) 3_677 .
O9 Pt4 O11 98.4(7) 3_677 .
O7 Pt4 O11 94.2(6) . .
O7 Pt4 O11 175.1(6) 3_677 .
O10 Pt4 O11 83.2(6) . .
C33 Pt4 Pt4 92.1(9) 3_677 3_677
C34 Pt4 Pt4 90.3(6) 3_677 3_677
O8 Pt4 Pt4 131.8(8) 3_677 3_677
O9 Pt4 Pt4 121.8(3) 3_677 3_677
O7 Pt4 Pt4 45.69(11) . 3_677
O7 Pt4 Pt4 44.00(12) 3_677 3_677
O10 Pt4 Pt4 136.8(3) . 3_677
O11 Pt4 Pt4 139.8(6) . 3_677
C33 Pt4 Pt2 100.1(10) 3_677 .
C34 Pt4 Pt2 68.9(7) 3_677 .
O8 Pt4 Pt2 97.7(10) 3_677 .
O9 Pt4 Pt2 70.8(5) 3_677 .
O7 Pt4 Pt2 102.29(11) . .
O7 Pt4 Pt2 80.12(11) 3_677 .
O10 Pt4 Pt2 79.0(4) . .
O11 Pt4 Pt2 101.8(7) . .
Pt4 Pt4 Pt2 91.44(2) 3_677 .
C1 O1A Pt2 126.5(3) . .
C1 N1A Pt1 129.5(3) . .
C1 N1A H1A 115.3 . .
Pt1 N1A H1A 115.3 . .
C6 O2A Pt2 130.2(3) . .
C6 N2A Pt1 126.7(3) . .
C6 N2A H2A 116.6 . .
Pt1 N2A H2A 116.6 . .
C1 N1B Pt2 126.5(3) . .
C1 N1B H1B 116.8 . .
Pt2 N1B H1B 116.8 . .
C1 O1B Pt1 129.5(3) . .
C6 N2B Pt2 130.2(3) . .
C6 N2B H2B 114.9 . .
Pt2 N2B H2B 114.9 . .
C6 O2B Pt1 126.7(3) . .
C31 O3 Pt3 114.4(4) . .
C32 O4 Pt3 113.8(4) . .
C26 N6 C30 119.1(5) . .
C26 N6 Pt2 115.0(4) . .
C30 N6 Pt2 125.8(3) . .
C21 N5 C25 119.1(5) . .
C21 N5 Pt2 125.6(4) . .
C25 N5 Pt2 115.2(3) . .
C16 N4 C20 118.8(4) . .
C16 N4 Pt1 115.1(3) . .
C20 N4 Pt1 126.0(3) . .
C11 N3 C15 118.5(4) . .
C11 N3 Pt1 126.3(4) . .
C15 N3 Pt1 115.1(3) . .
N6 C30 C29 121.0(5) . .
N6 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C28 C29 C30 121.1(6) . .
C28 C29 H29 119.5 . .
C30 C29 H29 119.5 . .
N4 C20 C19 121.8(5) . .
N4 C20 H20 119.1 . .
C19 C20 H20 119.1 . .
C18 C19 C20 119.5(5) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C19 C18 C17 119.0(5) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C18 C17 C16 120.0(5) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
N4 C16 C17 120.9(5) . .
N4 C16 C15 114.4(4) . .
C17 C16 C15 124.7(4) . .
N3 C15 C14 121.8(5) . .
N3 C15 C16 114.1(4) . .
C14 C15 C16 124.1(5) . .
C13 C14 C15 119.1(5) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C29 C28 C27 118.3(5) . .
C29 C28 H28 120.9 . .
C27 C28 H28 120.9 . .
C28 C27 C26 119.6(5) . .
C28 C27 H27 120.2 . .
C26 C27 H27 120.2 . .
N6 C26 C27 120.9(5) . .
N6 C26 C25 115.3(5) . .
C27 C26 C25 123.8(5) . .
N5 C25 C24 121.9(5) . .
N5 C25 C26 113.6(4) . .
C24 C25 C26 124.5(5) . .
C25 C24 C23 118.9(6) . .
C25 C24 H24 120.6 . .
C23 C24 H24 120.6 . .
C22 C23 C24 119.3(6) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
N3 C11 C12 121.6(5) . .
N3 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C13 C12 C11 119.7(5) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C12 C13 C14 119.3(5) . .
C12 C13 H13 120.4 . .
C14 C13 H13 120.4 . .
O5 C31 O3 125.2(7) . .
O5 C31 C32 120.1(8) . .
O3 C31 C32 114.6(7) . .
O6 C32 O4 124.7(6) . .
O6 C32 C31 119.9(7) . .
O4 C32 C31 115.4(7) . .
C2 C4 H4A 109.5 . .
C2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C9 C7 C6 112.8(4) . .
C9 C7 C8 109.9(4) . .
C6 C7 C8 108.7(4) . .
C9 C7 C10 109.9(5) . .
C6 C7 C10 106.2(4) . .
C8 C7 C10 109.2(5) . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O2B C6 N2A 0.0(4) . .
O2B C6 O2A 123.4(4) . .
N2A C6 O2A 123.4(4) . .
O2B C6 N2B 123.4(4) . .
N2A C6 N2B 123.4(4) . .
O2A C6 N2B 0.0(4) . .
O2B C6 C7 115.2(4) . .
N2A C6 C7 115.2(4) . .
O2A C6 C7 121.4(4) . .
N2B C6 C7 121.4(4) . .
O1B C1 N1A 0.0(4) . .
O1B C1 O1A 124.7(4) . .
N1A C1 O1A 124.7(4) . .
O1B C1 N1B 124.7(4) . .
N1A C1 N1B 124.7(4) . .
O1A C1 N1B 0.0(3) . .
O1B C1 C2 117.7(4) . .
N1A C1 C2 117.7(4) . .
O1A C1 C2 117.6(4) . .
N1B C1 C2 117.6(4) . .
C5 C2 C3 108.4(5) . .
C5 C2 C4 109.1(5) . .
C3 C2 C4 111.0(5) . .
C5 C2 C1 111.0(4) . .
C3 C2 C1 110.9(4) . .
C4 C2 C1 106.4(4) . .
N5 C21 C22 121.2(6) . .
N5 C21 H21 119.4 . .
C22 C21 H21 119.4 . .
C23 C22 C21 119.7(6) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
C2 C5 H5A 109.5 . .
C2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O8 O11 C36 140(6) 3_677 .
O8 O11 C33 19(4) 3_677 3_677
C36 O11 C33 128.7(15) . 3_677
O8 O11 Pt4 34(4) 3_677 .
C36 O11 Pt4 109.1(12) . .
C33 O11 Pt4 19.7(4) 3_677 .
O9 O10 C35 168(4) 3_677 .
O9 O10 C34 46(3) 3_677 3_677
C35 O10 C34 137.5(13) . 3_677
O9 O10 Pt4 69(3) 3_677 .
C35 O10 Pt4 113.7(10) . .
C34 O10 Pt4 23.7(5) 3_677 .
O12 C35 O10 133.6(13) . .
O12 C35 C36 112.8(10) . .
O10 C35 C36 113.6(11) . .
O12 C35 O9 132.7(11) . 3_677
O10 C35 O9 3.5(12) . 3_677
C36 C35 O9 114.1(10) . 3_677
O13 C36 O11 122.0(13) . .
O13 C36 C35 120.0(10) . .
O11 C36 C35 117.6(11) . .
O13 C36 O19 41.3(7) . .
O11 C36 O19 113.3(14) . .
C35 C36 O19 116.6(9) . .
O13 C36 O8 132.9(11) . 3_677
O11 C36 O8 11.0(13) . 3_677
C35 C36 O8 106.6(10) . 3_677
O19 C36 O8 121.7(12) . 3_677
C33 O7 C34 136.3(6) 3_677 .
C33 O7 Pt4 21.5(4) 3_677 .
C34 O7 Pt4 114.9(5) . .
C33 O7 Pt4 111.6(5) 3_677 3_677
C34 O7 Pt4 24.8(5) . 3_677
Pt4 O7 Pt4 90.31(16) . 3_677
Pt4 C34 O9 127.2(11) 3_677 .
Pt4 C34 O7 108.7(9) 3_677 .
O9 C34 O7 124.0(11) . .
Pt4 C34 O10 109.4(9) 3_677 3_677
O9 C34 O10 18.9(9) . 3_677
O7 C34 O10 140.4(10) . 3_677
Pt4 C34 C33 5.2(6) 3_677 .
O9 C34 C33 125.8(10) . .
O7 C34 C33 110.2(8) . .
O10 C34 C33 108.7(9) 3_677 .
Pt4 C33 O8 116.6(17) 3_677 .
Pt4 C33 O7 111.8(11) 3_677 3_677
O8 C33 O7 131.2(16) . 3_677
Pt4 C33 C34 6.0(7) 3_677 .
O8 C33 C34 115.3(15) . .
O7 C33 C34 113.5(8) 3_677 .
Pt4 C33 O11 111.8(13) 3_677 3_677
O8 C33 O11 8(2) . 3_677
O7 C33 O11 134.2(11) 3_677 3_677
C34 C33 O11 111.3(11) . 3_677
O11 O8 C33 154(6) 3_677 .
O11 O8 Pt4 136(6) 3_677 3_677
C33 O8 Pt4 23.7(7) . 3_677
O11 O8 C36 29(4) 3_677 3_677
C33 O8 C36 132.6(19) . 3_677
Pt4 O8 C36 109.8(14) 3_677 3_677
O10 O9 C34 115(4) 3_677 .
O10 O9 C35 8(3) 3_677 3_677
C34 O9 C35 118.2(12) . 3_677
O10 O9 Pt4 95(3) 3_677 3_677
C34 O9 Pt4 21.3(6) . 3_677
C35 O9 Pt4 97.3(7) 3_677 3_677
O19 O13 C36 89.5(12) . .
O13 O19 C36 49.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt2 N6 2.002(4) .
Pt2 N5 2.006(4) .
Pt2 N2B 2.014(4) .
Pt2 O2A 2.014(4) .
Pt2 O1A 2.024(4) .
Pt2 N1B 2.024(4) .
Pt2 Pt1 3.0202(3) .
Pt2 Pt4 3.4875(5) .
Pt1 N3 1.986(4) .
Pt1 N4 1.992(4) .
Pt1 N1A 2.017(4) .
Pt1 O1B 2.017(4) .
Pt1 N2A 2.030(3) .
Pt1 O2B 2.030(3) .
Pt1 Pt3 3.6518(2) .
Pt3 O3 2.013(4) 3_777
Pt3 O3 2.013(4) .
Pt3 O4 2.016(4) .
Pt3 O4 2.016(4) 3_777
Pt4 C33 0.735(12) 3_677
Pt4 C34 0.847(11) 3_677
Pt4 O8 1.633(15) 3_677
Pt4 O9 1.856(18) 3_677
Pt4 O7 1.860(4) .
Pt4 O7 1.916(4) 3_677
Pt4 O10 1.985(16) .
Pt4 O11 2.027(12) .
Pt4 Pt4 2.6777(9) 3_677
O1A C1 1.289(6) .
N1A C1 1.276(6) .
N1A H1A 0.8800 .
O2A C6 1.293(6) .
N2A C6 1.278(5) .
N2A H2A 0.8800 .
N1B C1 1.289(6) .
N1B H1B 0.8800 .
O1B C1 1.276(6) .
N2B C6 1.293(6) .
N2B H2B 0.8800 .
O2B C6 1.278(5) .
O3 C31 1.285(8) .
O4 C32 1.285(8) .
O6 C32 1.223(8) .
O5 C31 1.210(8) .
N6 C26 1.349(6) .
N6 C30 1.354(6) .
N5 C21 1.335(7) .
N5 C25 1.362(6) .
N4 C16 1.349(6) .
N4 C20 1.359(6) .
N3 C11 1.339(6) .
N3 C15 1.358(6) .
C30 C29 1.373(7) .
C30 H30 0.9500 .
C29 C28 1.357(8) .
C29 H29 0.9500 .
C20 C19 1.371(7) .
C20 H20 0.9500 .
C19 C18 1.370(7) .
C19 H19 0.9500 .
C18 C17 1.376(7) .
C18 H18 0.9500 .
C17 C16 1.380(7) .
C17 H17 0.9500 .
C16 C15 1.473(6) .
C15 C14 1.381(6) .
C14 C13 1.375(7) .
C14 H14 0.9500 .
C28 C27 1.387(8) .
C28 H28 0.9500 .
C27 C26 1.392(7) .
C27 H27 0.9500 .
C26 C25 1.474(7) .
C25 C24 1.371(7) .
C24 C23 1.385(8) .
C24 H24 0.9500 .
C23 C22 1.368(8) .
C23 H23 0.9500 .
C11 C12 1.389(7) .
C11 H11 0.9500 .
C12 C13 1.365(8) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C31 C32 1.551(8) .
C4 C2 1.525(7) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C3 C2 1.522(8) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C7 C9 1.513(7) .
C7 C6 1.523(6) .
C7 C8 1.531(7) .
C7 C10 1.558(7) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C1 C2 1.544(6) .
C2 C5 1.518(7) .
C21 C22 1.391(8) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
O11 O8 0.506(19) 3_677
O11 C36 1.30(2) .
O11 C33 1.636(14) 3_677
O10 O9 0.551(12) 3_677
O10 C35 1.306(14) .
O10 C34 1.536(16) 3_677
C35 O12 1.123(11) .
C35 C36 1.521(14) .
C35 O9 1.848(13) 3_677
C36 O13 1.255(14) .
C36 O19 1.659(17) .
C36 O8 1.722(19) 3_677
O7 C33 1.458(12) 3_677
O7 C34 1.468(9) .
O7 Pt4 1.916(4) 3_677
C34 Pt4 0.847(11) 3_677
C34 O9 1.217(19) .
C34 O10 1.536(16) 3_677
C34 C33 1.575(14) .
C33 Pt4 0.735(11) 3_677
C33 O8 1.167(15) .
C33 O7 1.458(12) 3_677
C33 O11 1.636(14) 3_677
O8 O11 0.506(19) 3_677
O8 Pt4 1.633(14) 3_677
O8 C36 1.722(18) 3_677
O9 O10 0.551(12) 3_677
O9 C35 1.848(13) 3_677
O9 Pt4 1.856(17) 3_677
O13 O19 1.096(14) .
O18A O18B 0.715(17) .
