#------------------------------------------------------------------------------
#$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $
#$Revision: 199607 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/40/2014003.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2014003
loop_
_publ_author_name
'Yokokawa, Kazuo'
'Sakai, Ken'
_publ_section_title
;Di-μ-pivalamidato-κ⁴N:O;O:N-bis[(2,2'-bipyridine-κ²N,N')(sulfato-κO)platinum(III)]
 tetrahydrate in a head-to-tail isomerism
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m244
_journal_page_last               m247
_journal_paper_doi               10.1107/S010827010400811X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac
'[Pt2 (C5 H10 N O)2 (C10 H8 N2)2 (S O4)2], 4H2 O'
_chemical_formula_moiety         'C30 H36 N6 O10 Pt2 S2, 4(H2 O)'
_chemical_formula_sum            'C30 H44 N6 O14 Pt2 S2'
_chemical_formula_weight         1167.01
_chemical_name_systematic
;
Di-μ-pivalamidato-κ⁴N,O-
bis[(sulfato)(2,2'-bipyridine-κ²N,N')platinum(III)] tetrahydrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 123.285(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.535(2)
_cell_length_b                   11.9796(12)
_cell_length_c                   16.4774(17)
_cell_measurement_reflns_used    7382
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.53
_cell_volume                     3718.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'KENX (Sakai, 2002)'
_computing_publication_material
;
SHELXL97, TEXSAN (Molecular Structure Corporation, 2001),
KENX, and ORTEP (Johnson, 1976)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device
'Bruker SMART APEX CCD-detector diffractometer'
_diffrn_measurement_method       ω
_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  0.1446
_diffrn_reflns_av_sigmaI/netI    0.0890
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20489
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         2.12
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  330
_diffrn_standards_number         NONE
_exptl_absorpt_coefficient_mu    7.703
_exptl_absorpt_correction_T_max  0.62299
_exptl_absorpt_correction_T_min  0.14729
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(XPREP in SAINT; Bruker, 2001a)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.783
_refine_diff_density_min         -1.606
_refine_ls_extinction_coef       0.00183(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         4288
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0437
_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)+(0.0564P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1277
_reflns_number_gt                3218
_reflns_number_total             4288
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gd1315.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2014003
_cod_database_fobs_code          2014003
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
_atom_site_attached_hydrogens
Pt1 0.042947(15) 0.97604(3) 0.84268(2) 0.02294(15) Uani d . 1 . . Pt 0
S1 0.17203(12) 1.0678(2) 1.04836(15) 0.0321(5) Uani d . 1 . . S 0
O1 0.0266(3) 1.0789(5) 0.6558(4) 0.0277(12) Uani d . 1 . . O 0
O2 0.1070(4) 0.9944(5) 0.9975(5) 0.0368(15) Uani d . 1 . . O 0
O3 0.1935(4) 1.0660(7) 1.1483(5) 0.0482(18) Uani d . 1 . . O 0
O4 0.1524(4) 1.1804(6) 1.0073(5) 0.0453(18) Uani d . 1 . . O 0
O5 0.2241(4) 1.0229(6) 1.0330(6) 0.0501(19) Uani d . 1 . . O 0
O6 0.3198(6) 0.9972(8) 1.3260(9) 0.082(3) Uani d . 1 . . O 2
O7 0.3136(7) 1.0901(8) 0.9778(8) 0.096(4) Uani d . 1 . . O 2
N1 0.0821(4) 1.1106(6) 0.8168(5) 0.0273(15) Uani d . 1 . . N 0
H1 0.1094 1.1540 0.8648 0.033 Uiso calc R 1 . . H 0
N2 0.0069(4) 0.8339(6) 0.8682(5) 0.0272(15) Uani d . 1 . . N 0
N3 0.1139(4) 0.8672(6) 0.8501(5) 0.0273(15) Uani d . 1 . . N 0
C1 0.0688(4) 1.1369(7) 0.7317(6) 0.0287(18) Uani d . 1 A . C 0
C2 0.1000(5) 1.2387(7) 0.7169(6) 0.039(2) Uani d D 1 . . C 0
C3A 0.0335(8) 1.3099(16) 0.6498(12) 0.077(3) Uiso d PD 0.707(15) A 1 C 0
H3A1 0.0117 1.3309 0.6837 0.093 Uiso calc PR 0.707(15) A 1 H 0
H3A2 0.0005 1.2674 0.5932 0.093 Uiso calc PR 0.707(15) A 1 H 0
H3A3 0.0470 1.3758 0.6305 0.093 Uiso calc PR 0.707(15) A 1 H 0
C3B 0.068(2) 1.347(2) 0.723(3) 0.077(3) Uiso d PD 0.293(15) A 2 C 0
H3B1 0.0717 1.3500 0.7840 0.093 Uiso calc PR 0.293(15) A 2 H 0
H3B2 0.0186 1.3496 0.6709 0.093 Uiso calc PR 0.293(15) A 2 H 0
H3B3 0.0925 1.4087 0.7180 0.093 Uiso calc PR 0.293(15) A 2 H 0
C4A 0.1468(9) 1.3054(15) 0.8088(10) 0.077(3) Uiso d PD 0.707(15) A 1 C 0
H4A1 0.1208 1.3233 0.8377 0.093 Uiso calc PR 0.707(15) A 1 H 0
H4A2 0.1614 1.3731 0.7934 0.093 Uiso calc PR 0.707(15) A 1 H 0
H4A3 0.1880 1.2622 0.8537 0.093 Uiso calc PR 0.707(15) A 1 H 0
C4B 0.1784(9) 1.237(4) 0.800(2) 0.077(3) Uiso d PD 0.293(15) A 2 C 0
H4B1 0.1994 1.1678 0.7985 0.093 Uiso calc PR 0.293(15) A 2 H 0
H4B2 0.1824 1.2435 0.8609 0.093 Uiso calc PR 0.293(15) A 2 H 0
H4B3 0.2026 1.2981 0.7927 0.093 Uiso calc PR 0.293(15) A 2 H 0
C5A 0.1351(9) 1.2080(18) 0.6651(13) 0.077(3) Uiso d PD 0.707(15) A 1 C 0
H5A1 0.1022 1.1676 0.6070 0.093 Uiso calc PR 0.707(15) A 1 H 0
H5A2 0.1758 1.1620 0.7065 0.093 Uiso calc PR 0.707(15) A 1 H 0
H5A3 0.1499 1.2746 0.6486 0.093 Uiso calc PR 0.707(15) A 1 H 0
C5B 0.095(2) 1.233(4) 0.6217(17) 0.077(3) Uiso d PD 0.293(15) A 2 C 0
H5B1 0.1145 1.1630 0.6179 0.093 Uiso calc PR 0.293(15) A 2 H 0
H5B2 0.1215 1.2932 0.6181 0.093 Uiso calc PR 0.293(15) A 2 H 0
H5B3 0.0463 1.2379 0.5688 0.093 Uiso calc PR 0.293(15) A 2 H 0
C6 -0.0488(5) 0.8294(8) 0.8774(7) 0.035(2) Uani d . 1 . . C 0
H6 -0.0716 0.8948 0.8759 0.042 Uiso calc R 1 . . H 0
C7 -0.0720(6) 0.7280(9) 0.8892(8) 0.047(3) Uani d . 1 . . C 0
H7 -0.1113 0.7243 0.8937 0.057 Uiso calc R 1 . . H 0
C8 -0.0367(7) 0.6327(9) 0.8941(9) 0.054(3) Uani d . 1 . . C 0
H8 -0.0527 0.5638 0.9004 0.065 Uiso calc R 1 . . H 0
C9 0.0229(6) 0.6386(8) 0.8897(8) 0.045(3) Uani d . 1 . . C 0
H9 0.0480 0.5743 0.8952 0.054 Uiso calc R 1 . . H 0
C10 0.0447(5) 0.7411(8) 0.8772(6) 0.032(2) Uani d . 1 . . C 0
C11 0.1057(5) 0.7604(7) 0.8693(7) 0.0324(19) Uani d . 1 . . C 0
C12 0.1520(6) 0.6786(8) 0.8777(8) 0.045(2) Uani d . 1 . . C 0
H12 0.1457 0.6049 0.8891 0.053 Uiso calc R 1 . . H 0
C13 0.2076(5) 0.7075(11) 0.8690(8) 0.051(3) Uani d . 1 . . C 0
H13 0.2387 0.6531 0.8735 0.061 Uiso calc R 1 . . H 0
C14 0.2164(5) 0.8164(9) 0.8536(8) 0.044(2) Uani d . 1 . . C 0
H14 0.2545 0.8370 0.8497 0.053 Uiso calc R 1 . . H 0
C15 0.1686(5) 0.8961(9) 0.8439(7) 0.038(2) Uani d . 1 . . C 0
H15 0.1745 0.9702 0.8329 0.045 Uiso calc R 1 . . H 0
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'
S S 0.1246 0.1234 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Pt1 N3 . . 96.1(3) yes
N1 Pt1 N2 . . 176.8(3) yes
N3 Pt1 N2 . . 80.7(3) yes
N1 Pt1 O2 . . 94.8(3) yes
N3 Pt1 O2 . . 90.0(3) yes
N2 Pt1 O2 . . 85.7(3) yes
N1 Pt1 O1 . 2_556 86.9(3) yes
O1 Pt1 N3 2_556 . 175.7(2) yes
O1 Pt1 N2 2_556 . 96.3(3) yes
O1 Pt1 O2 2_556 . 86.7(2) yes
N1 Pt1 Pt1 . 2_556 83.0(2) ?
O1 Pt1 Pt1 2_556 2_556 86.02(16) ?
N3 Pt1 Pt1 . 2_556 97.3(2) ?
N2 Pt1 Pt1 . 2_556 96.9(2) ?
O2 Pt1 Pt1 . 2_556 172.53(19) ?
O5 S1 O3 . . 113.7(5) ?
O5 S1 O4 . . 109.4(5) ?
O3 S1 O4 . . 111.7(5) ?
O5 S1 O2 . . 108.8(4) ?
O3 S1 O2 . . 104.0(4) ?
O4 S1 O2 . . 109.0(4) ?
C1 O1 Pt1 . 2_556 119.2(5) ?
S1 O2 Pt1 . . 122.4(4) ?
C1 N1 Pt1 . . 124.0(6) ?
C6 N2 C10 . . 121.4(8) ?
C6 N2 Pt1 . . 124.2(6) ?
C10 N2 Pt1 . . 114.3(6) ?
C15 N3 C11 . . 120.8(8) ?
C15 N3 Pt1 . . 124.2(6) ?
C11 N3 Pt1 . . 114.8(6) ?
O1 C1 N1 . . 121.9(8) yes
O1 C1 C2 . . 116.6(8) yes
N1 C1 C2 . . 121.5(8) yes
C1 C2 C5A . . 109.7(11) ?
C1 C2 C3B . . 114(2) ?
C1 C2 C5B . . 111(2) ?
C3B C2 C5B . . 110.2(16) ?
C1 C2 C4A . . 113.6(11) ?
C5A C2 C4A . . 113.9(10) ?
C1 C2 C4B . . 105(2) ?
C3B C2 C4B . . 108.3(16) ?
C5B C2 C4B . . 108.5(15) ?
C1 C2 C3A . . 102.1(10) ?
C5A C2 C3A . . 109.7(9) ?
C4A C2 C3A . . 107.2(9) ?
N2 C6 C7 . . 120.1(9) ?
C8 C7 C6 . . 119.3(10) ?
C7 C8 C9 . . 120.3(10) ?
C10 C9 C8 . . 119.2(10) ?
N2 C10 C9 . . 119.5(9) ?
N2 C10 C11 . . 115.0(8) ?
C9 C10 C11 . . 125.5(9) ?
N3 C11 C12 . . 120.1(9) ?
N3 C11 C10 . . 115.1(8) ?
C12 C11 C10 . . 124.8(9) ?
C11 C12 C13 . . 119.4(10) ?
C14 C13 C12 . . 119.4(10) ?
C13 C14 C15 . . 120.0(10) ?
N3 C15 C14 . . 120.3(9) ?
C1 N1 H1 . . 118.0 ?
Pt1 N1 H1 . . 118.0 ?
C2 C3A H3A1 . . 109.5 ?
C2 C3A H3A2 . . 109.5 ?
H3A1 C3A H3A2 . . 109.5 ?
C2 C3A H3A3 . . 109.5 ?
H3A1 C3A H3A3 . . 109.5 ?
H3A2 C3A H3A3 . . 109.5 ?
C2 C3B H3B1 . . 109.5 ?
C2 C3B H3B2 . . 109.5 ?
H3B1 C3B H3B2 . . 109.5 ?
C2 C3B H3B3 . . 109.5 ?
H3B1 C3B H3B3 . . 109.5 ?
H3B2 C3B H3B3 . . 109.5 ?
C2 C4A H4A1 . . 109.5 ?
C2 C4A H4A2 . . 109.5 ?
H4A1 C4A H4A2 . . 109.5 ?
C2 C4A H4A3 . . 109.5 ?
H4A1 C4A H4A3 . . 109.5 ?
H4A2 C4A H4A3 . . 109.5 ?
C2 C4B H4B1 . . 109.5 ?
C2 C4B H4B2 . . 109.5 ?
H4B1 C4B H4B2 . . 109.5 ?
C2 C4B H4B3 . . 109.5 ?
H4B1 C4B H4B3 . . 109.5 ?
H4B2 C4B H4B3 . . 109.5 ?
C2 C5A H5A1 . . 109.5 ?
C2 C5A H5A2 . . 109.5 ?
H5A1 C5A H5A2 . . 109.5 ?
C2 C5A H5A3 . . 109.5 ?
H5A1 C5A H5A3 . . 109.5 ?
H5A2 C5A H5A3 . . 109.5 ?
C2 C5B H5B1 . . 109.5 ?
C2 C5B H5B2 . . 109.5 ?
H5B1 C5B H5B2 . . 109.5 ?
C2 C5B H5B3 . . 109.5 ?
H5B1 C5B H5B3 . . 109.5 ?
H5B2 C5B H5B3 . . 109.5 ?
N2 C6 H6 . . 119.9 ?
C7 C6 H6 . . 119.9 ?
C8 C7 H7 . . 120.4 ?
C6 C7 H7 . . 120.4 ?
C7 C8 H8 . . 119.9 ?
C9 C8 H8 . . 119.9 ?
C10 C9 H9 . . 120.4 ?
C8 C9 H9 . . 120.4 ?
C11 C12 H12 . . 120.3 ?
C13 C12 H12 . . 120.3 ?
C14 C13 H13 . . 120.3 ?
C12 C13 H13 . . 120.3 ?
C13 C14 H14 . . 120.0 ?
C15 C14 H14 . . 120.0 ?
N3 C15 H15 . . 119.8 ?
C14 C15 H15 . . 119.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 O1 2_556 2.004(6) yes
Pt1 O2 . 2.144(7) yes
Pt1 N1 . 1.993(7) yes
Pt1 N2 . 2.027(7) yes
Pt1 N3 . 2.015(7) yes
Pt1 Pt1 2_556 2.5664(6) yes
O1 C1 . 1.282(10) yes
N1 C1 . 1.302(11) yes
C1 C2 . 1.492(12) yes
S1 O5 . 1.433(7) ?
S1 O3 . 1.439(7) ?
S1 O4 . 1.466(7) ?
S1 O2 . 1.508(7) ?
N2 C6 . 1.346(11) ?
N2 C10 . 1.359(11) ?
N3 C15 . 1.337(11) ?
N3 C11 . 1.355(11) ?
C2 C5A . 1.494(9) ?
C2 C3B . 1.513(10) ?
C2 C5B . 1.513(10) ?
C2 C4A . 1.514(9) ?
C2 C4B . 1.530(10) ?
C2 C3A . 1.542(9) ?
C6 C7 . 1.378(14) ?
C7 C8 . 1.368(16) ?
C8 C9 . 1.386(15) ?
C9 C10 . 1.378(13) ?
C10 C11 . 1.469(12) ?
C11 C12 . 1.380(13) ?
C12 C13 . 1.382(15) ?
C13 C14 . 1.365(16) ?
C14 C15 . 1.380(13) ?
N1 H1 . 0.8600 ?
C3A H3A1 . 0.9600 ?
C3A H3A2 . 0.9600 ?
C3A H3A3 . 0.9600 ?
C3B H3B1 . 0.9600 ?
C3B H3B2 . 0.9600 ?
C3B H3B3 . 0.9600 ?
C4A H4A1 . 0.9600 ?
C4A H4A2 . 0.9600 ?
C4A H4A3 . 0.9600 ?
C4B H4B1 . 0.9600 ?
C4B H4B2 . 0.9600 ?
C4B H4B3 . 0.9600 ?
C5A H5A1 . 0.9600 ?
C5A H5A2 . 0.9600 ?
C5A H5A3 . 0.9600 ?
C5B H5B1 . 0.9600 ?
C5B H5B2 . 0.9600 ?
C5B H5B3 . 0.9600 ?
C6 H6 . 0.9300 ?
C7 H7 . 0.9300 ?
C8 H8 . 0.9300 ?
C9 H9 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O3 O6 2.864(13) . yes
O5 O7 2.750(12) . yes
O7 O4 2.828(12) 7_577 yes
O7 O6 2.784(14) 6_575 yes
N3 N2 3.125(10) 2_556 yes
N3 C6 3.221(12) 2_556 yes
C10 C10 3.515(18) 2_556 yes
C11 N2 3.411(12) 2_556 yes
C11 C10 3.595(13) 2_556 yes
C13 C7 3.636(16) 2_556 yes
C14 C6 3.605(14) 2_556 yes
C15 C6 3.228(13) 2_556 yes
N2 C5B 3.59(3) 6_576 yes
C6 C5B 3.60(4) 6_576 yes
C7 C5B 3.64(4) 6_576 yes
C8 C5B 3.64(4) 6_576 yes
C9 C5B 3.58(3) 6_576 yes
C10 C5B 3.549(18) 6_576 yes
C7 C3A 3.62(2) 6_576 yes
C8 C3A 3.66(2) 6_576 yes
C14 C12 3.741(15) 7_567 yes
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
_geom_hbond_publ_flag
N1 H1 O4 0.86 2.01 2.757(10) 144.2 yes
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_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Pt1 Pt1 O1 2_556 . 16.5(3) yes
N3 Pt1 Pt1 N2 2_556 2_556 17.0(3) yes
O1 C1 C2 C5A . . -53.7(11) ?
N1 C1 C2 C5A . . 128.5(10) ?
O1 C1 C2 C3B . . 105.7(17) ?
N1 C1 C2 C3B . . -72.1(18) ?
O1 C1 C2 C5B . . -19.1(18) ?
N1 C1 C2 C5B . . 163.0(17) ?
O1 C1 C2 C4A . . 177.6(10) ?
N1 C1 C2 C4A . . -0.2(13) ?
O1 C1 C2 C4B . . -136.1(16) ?
N1 C1 C2 C4B . . 46.0(17) ?
O1 C1 C2 C3A . . 62.6(10) ?
N1 C1 C2 C3A . . -115.3(10) ?
C10 N2 C6 C7 . . -4.8(14) ?
N2 C6 C7 C8 . . 1.8(16) ?
C6 C7 C8 C9 . . 1.6(18) ?
C7 C8 C9 C10 . . -2.1(18) ?
C6 N2 C10 C9 . . 4.2(14) ?
C6 N2 C10 C11 . . -177.5(8) ?
C8 C9 C10 N2 . . -0.7(16) ?
C8 C9 C10 C11 . . -178.8(10) ?
C15 N3 C11 C12 . . -3.4(14) ?
C15 N3 C11 C10 . . 178.2(8) ?
N2 C10 C11 N3 . . -2.7(12) ?
C9 C10 C11 N3 . . 175.4(9) ?
N2 C10 C11 C12 . . 178.9(9) ?
C9 C10 C11 C12 . . -3.0(16) ?
N3 C11 C12 C13 . . 1.7(15) ?
C10 C11 C12 C13 . . -180.0(10) ?
C11 C12 C13 C14 . . 0.9(17) ?
C12 C13 C14 C15 . . -2.0(17) ?
C11 N3 C15 C14 . . 2.3(14) ?
C13 C14 C15 N3 . . 0.5(16) ?
