#------------------------------------------------------------------------------
#$Date: 2016-02-21 11:56:54 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176809 $
#$URL: svn://www.crystallography.net/cod/cif/2/24/04/2240422.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_2240422
loop_
_publ_author_name
'Joo, Hea-Chung'
'Park, Ki-Min'
'Lee, Uk'
_publ_section_title
;
 Crystal structure of heptaguanidinium nonahydrogen
 bis[α-hexamolybdoplatinate(IV)] heptahydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              268
_journal_page_last               271
_journal_paper_doi               10.1107/S2056989015002601
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '(C H6 N3)7 H9 [Pt Mo6 O24]2, 7H2 O'
_chemical_formula_moiety         '7(C H6 N3 +), H9 Pt2 Mo12 O48 7-, 7(H2 O)'
_chemical_formula_structural     '(H9 Pt2 Mo12 O48), 7(H2 O), 7(C H6 N3+)'
_chemical_formula_sum            'C7 H65 Mo12 N21 O55 Pt2'
_chemical_formula_weight         2865.26
_chemical_name_systematic
;Heptaguanidinium nonahydrogen
bis[α-hexamolybdoplatinate(IV)] heptahydrate
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 119.451(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.413(10)
_cell_length_b                   10.073(3)
_cell_length_c                   23.677(7)
_cell_measurement_reflns_used    9569
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.21
_cell_volume                     6524(4)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2009) and
 DIAMOND (Brandenburg,1998)
;
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'graphite multilayer'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            56606
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    6.617
_exptl_absorpt_correction_T_max  0.7290
_exptl_absorpt_correction_T_min  0.2407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' (SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5416
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.500
_refine_diff_density_min         -1.304
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7107
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0337P)²+47.9084P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                6050
_reflns_number_total             7107
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            pk2544sup1.cf
_cod_data_source_block           I
_cod_original_cell_volume        6524(3)
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               2240422
_cod_database_fobs_code          2240422
#BEGIN Tags that were not found in dictionaries:
#END Tags that were not found in dictionaries
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_type_symbol
_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_symmetry_multiplicity
Pt Pt1 0.652431(6) 0.176198(17) 0.467608(8) 0.01525(6) Uani d . 1 2
Mo Mo1 0.743430(14) -0.00319(4) 0.57409(2) 0.02093(10) Uani d . 1 2
Mo Mo2 0.682566(15) 0.17866(4) 0.624195(19) 0.02035(10) Uani d . 1 2
Mo Mo3 0.583929(15) 0.34871(4) 0.51759(2) 0.02171(10) Uani d . 1 2
Mo Mo4 0.552026(14) 0.34729(4) 0.359683(19) 0.01849(9) Uani d . 1 2
Mo Mo5 0.618484(14) 0.17217(4) 0.311229(19) 0.01901(10) Uani d . 1 2
Mo Mo6 0.712270(14) -0.01255(4) 0.42001(2) 0.02259(10) Uani d . 1 2
O O1C 0.66821(11) 0.0483(3) 0.53959(14) 0.0194(7) Uani d . 1 2
O O2C 0.66214(11) 0.3107(3) 0.53597(15) 0.0187(7) Uani d D 1 2
H H2 0.6862(17) 0.378(5) 0.544(3) 0.050(18) Uiso d D 1 2
O O3C 0.58105(11) 0.1962(3) 0.44249(15) 0.0178(7) Uani d D 1 2
H H3 0.568(2) 0.109(3) 0.439(3) 0.07(2) Uiso d D 1 2
O O4C 0.63463(11) 0.3099(3) 0.39634(15) 0.0184(7) Uani d D 1 2
H H4 0.656(3) 0.379(6) 0.398(4) 0.10(3) Uiso d D 1 2
O O5C 0.64084(11) 0.0488(3) 0.39683(14) 0.0191(7) Uani d . 1 2
O O6C 0.72274(11) 0.1511(3) 0.49205(15) 0.0190(7) Uani d . 1 2
H H6 0.7500 0.2500 0.5000 0.06(3) Uiso d S 1 2
O O7B 0.74507(12) 0.1539(3) 0.62431(16) 0.0229(7) Uani d . 1 2
O O8B 0.61194(12) 0.2010(3) 0.57683(16) 0.0243(7) Uani d . 1 2
O O9B 0.57705(11) 0.4420(3) 0.44128(15) 0.0226(7) Uani d . 1 2
O O10B 0.55913(11) 0.1971(3) 0.31241(15) 0.0212(7) Uani d . 1 2
O O11B 0.69300(12) 0.1458(3) 0.35603(16) 0.0235(7) Uani d D 1 2
H H11 0.713(3) 0.222(7) 0.362(5) 0.15(4) Uiso d D 1 2
O O12B 0.71759(12) -0.1040(3) 0.49309(17) 0.0262(8) Uani d . 1 2
O O13T 0.80360(12) 0.0093(3) 0.59080(17) 0.0285(8) Uani d . 1 2
O O14T 0.74286(12) -0.1258(3) 0.62346(17) 0.0305(8) Uani d . 1 2
O O15T 0.68520(13) 0.0508(4) 0.67282(16) 0.0299(8) Uani d . 1 2
O O16T 0.69977(13) 0.3193(3) 0.67096(17) 0.0312(8) Uani d . 1 2
O O17T 0.52417(13) 0.3226(4) 0.49587(19) 0.0371(9) Uani d . 1 2
O O18T 0.60285(14) 0.4814(4) 0.56903(17) 0.0370(9) Uani d . 1 2
O O19T 0.49288(12) 0.3228(3) 0.34110(17) 0.0275(8) Uani d . 1 2
O O20T 0.55233(12) 0.4783(3) 0.31420(16) 0.0283(8) Uani d . 1 2
O O21T 0.62270(13) 0.3112(4) 0.27214(17) 0.0292(8) Uani d . 1 2
O O22T 0.60336(13) 0.0433(4) 0.25787(17) 0.0315(8) Uani d . 1 2
O O23T 0.69102(12) -0.1349(3) 0.36251(18) 0.0304(8) Uani d . 1 2
O O24T 0.77302(12) 0.0093(3) 0.44119(17) 0.0290(8) Uani d . 1 2
C C1 0.5886(2) -0.1669(7) 0.5871(3) 0.0536(18) Uani d . 1 2
N N1 0.6167(2) -0.1725(5) 0.5534(3) 0.0611(18) Uani d . 1 2
H H1A 0.6273 -0.2493 0.5476 0.073 Uiso calc R 1 2
H H1B 0.6230 -0.0991 0.5388 0.073 Uiso calc R 1 2
N N2 0.57817(17) -0.2673(5) 0.6092(2) 0.0446(13) Uani d . 1 2
H H2A 0.5879 -0.3464 0.6046 0.053 Uiso calc R 1 2
H H2B 0.5611 -0.2586 0.6293 0.053 Uiso calc R 1 2
N N3 0.5678(3) -0.0394(7) 0.5888(4) 0.106(3) Uani d . 1 2
H H3A 0.5480 -0.0333 0.6052 0.127 Uiso calc R 1 2
H H3B 0.5748 0.0317 0.5735 0.127 Uiso calc R 1 2
C C2 0.69992(17) 0.6537(5) 0.7035(2) 0.0252(11) Uani d . 1 2
N N4 0.7180(2) 0.6254(5) 0.6658(3) 0.0482(14) Uani d . 1 2
H H4A 0.7210 0.5420 0.6571 0.058 Uiso calc R 1 2
H H4B 0.7273 0.6896 0.6490 0.058 Uiso calc R 1 2
N N5 0.68617(16) 0.5573(4) 0.7284(2) 0.0310(10) Uani d . 1 2
H H5A 0.6892 0.4741 0.7196 0.037 Uiso calc R 1 2
H H5B 0.6739 0.5760 0.7538 0.037 Uiso calc R 1 2
N N6 0.69567(17) 0.7785(5) 0.7166(2) 0.0355(11) Uani d . 1 2
H H6A 0.7050 0.8426 0.6999 0.043 Uiso calc R 1 2
H H6B 0.6835 0.7976 0.7420 0.043 Uiso calc R 1 2
C C3 0.4036(2) 0.6616(5) 0.2726(3) 0.0290(11) Uani d . 1 2
N N7 0.43204(15) 0.5625(4) 0.3073(2) 0.0324(10) Uani d . 1 2
H H7A 0.4546 0.5757 0.3479 0.039 Uiso calc R 1 2
H H7B 0.4284 0.4834 0.2898 0.039 Uiso calc R 1 2
N N8 0.36976(18) 0.6419(5) 0.2123(2) 0.0444(13) Uani d . 1 2
H H8A 0.3507 0.7078 0.1894 0.053 Uiso calc R 1 2
H H8B 0.3661 0.5628 0.1947 0.053 Uiso calc R 1 2
N N9 0.4097(3) 0.7778(5) 0.2998(3) 0.075(2) Uani d . 1 2
H H9A 0.3910 0.8448 0.2775 0.090 Uiso calc R 1 2
H H9B 0.4326 0.7894 0.3403 0.090 Uiso calc R 1 2
C C4 0.5228(3) 0.8412(9) 0.2828(4) 0.028(2) Uani d PD 0.50 2
N N10 0.5000 0.7313(6) 0.2500 0.0368(16) Uani d SD 1 2
H H10A 0.4775(14) 0.686(4) 0.2159(13) 0.044 Uiso d D 1 2
N N11 0.5000 0.9567(6) 0.2500 0.0471(19) Uani d SD 1 2
H H11A 0.5223(16) 1.002(4) 0.2844(14) 0.057 Uiso d D 1 2
N N12 0.5653(4) 0.8331(14) 0.3368(6) 0.039(3) Uani d PD 0.50 2
H H12A 0.579(3) 0.753(5) 0.343(6) 0.046 Uiso d PD 0.50 2
H H12B 0.584(3) 0.905(6) 0.355(6) 0.046 Uiso d PD 0.50 2
O O1W 0.51593(15) 0.6741(4) 0.42228(19) 0.0400(10) Uani d D 1 2
H H1AW 0.5475(12) 0.638(6) 0.446(3) 0.060 Uiso d D 1 2
H H1BW 0.507(2) 0.678(6) 0.456(2) 0.060 Uiso d D 1 2
O O2W 0.52988(18) -0.0205(5) 0.4254(3) 0.0609(13) Uani d D 1 2
H H2AW 0.508(3) -0.006(8) 0.3811(14) 0.091 Uiso d D 1 2
H H2BW 0.553(2) -0.091(6) 0.435(4) 0.091 Uiso d D 1 2
O O3W 0.6421(2) -0.3187(6) 0.4650(3) 0.0764(17) Uani d D 1 2
H H3AW 0.6747(13) -0.346(9) 0.487(4) 0.115 Uiso d D 1 2
H H3BW 0.632(4) -0.398(6) 0.441(4) 0.115 Uiso d D 1 2
O O4W 0.5802(4) 0.8321(11) 0.3704(5) 0.036(2) Uani d PD 0.50 2
H H4AW 0.599(4) 0.911(8) 0.381(6) 0.055 Uiso d PD 0.50 2
H H4BW 0.602(4) 0.770(10) 0.402(5) 0.055 Uiso d PD 0.50 2
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'
Mo Mo -1.6832 0.6857 '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
Mo1 O1C Mo2 . . 95.79(12) y
Mo2 O2C Mo3 . . 93.64(11) y
Mo4 O3C Mo3 . . 93.75(12) y
Mo5 O4C Mo4 . . 92.64(11) y
Mo6 O5C Mo5 . . 102.87(13) y
Mo6 O6C Mo1 . . 91.14(12) y
Mo1 O7B Mo2 . . 111.71(15) y
Mo3 O8B Mo2 . . 119.36(16) y
Mo4 O9B Mo3 . . 119.39(17) y
Mo5 O10B Mo4 . . 120.02(16) y
Mo5 O11B Mo6 . . 108.97(15) y
Mo6 O12B Mo1 . . 116.75(17) y
O1C Pt1 O5C . . 99.68(14) ?
O1C Pt1 O6C . . 84.05(13) ?
O5C Pt1 O6C . . 83.21(12) ?
O1C Pt1 O4C . . 177.35(12) ?
O5C Pt1 O4C . . 82.27(13) ?
O6C Pt1 O4C . . 97.99(13) ?
O1C Pt1 O2C . . 82.64(13) ?
O5C Pt1 O2C . . 177.41(13) ?
O6C Pt1 O2C . . 98.20(13) ?
O4C Pt1 O2C . . 95.37(13) ?
O1C Pt1 O3C . . 95.12(13) ?
O5C Pt1 O3C . . 95.66(12) ?
O6C Pt1 O3C . . 178.46(12) ?
O4C Pt1 O3C . . 82.87(13) ?
O2C Pt1 O3C . . 82.96(13) ?
O14T Mo1 O13T . . 105.87(16) ?
O14T Mo1 O12B . . 99.01(16) ?
O13T Mo1 O12B . . 98.14(15) ?
O14T Mo1 O7B . . 100.03(16) ?
O13T Mo1 O7B . . 95.86(15) ?
O12B Mo1 O7B . . 152.25(14) ?
O14T Mo1 O1C . . 93.17(14) ?
O13T Mo1 O1C . . 160.02(14) ?
O12B Mo1 O1C . . 84.50(12) ?
O7B Mo1 O1C . . 74.48(12) ?
O14T Mo1 O6C . . 165.12(14) ?
O13T Mo1 O6C . . 88.14(14) ?
O12B Mo1 O6C . . 73.55(13) ?
O7B Mo1 O6C . . 83.11(12) ?
O1C Mo1 O6C . . 73.54(11) ?
O15T Mo2 O16T . . 107.06(18) ?
O15T Mo2 O8B . . 98.04(15) ?
O16T Mo2 O8B . . 100.65(16) ?
O15T Mo2 O7B . . 100.70(15) ?
O16T Mo2 O7B . . 96.07(16) ?
O8B Mo2 O7B . . 149.93(14) ?
O15T Mo2 O1C . . 94.74(15) ?
O16T Mo2 O1C . . 156.95(15) ?
O8B Mo2 O1C . . 83.19(13) ?
O7B Mo2 O1C . . 72.05(12) ?
O15T Mo2 O2C . . 163.07(14) ?
O16T Mo2 O2C . . 88.12(15) ?
O8B Mo2 O2C . . 71.19(12) ?
O7B Mo2 O2C . . 84.67(12) ?
O1C Mo2 O2C . . 71.47(12) ?
O17T Mo3 O18T . . 106.36(19) ?
O17T Mo3 O8B . . 98.10(16) ?
O18T Mo3 O8B . . 102.14(16) ?
O17T Mo3 O9B . . 100.99(16) ?
O18T Mo3 O9B . . 97.16(16) ?
O8B Mo3 O9B . . 147.71(13) ?
O17T Mo3 O2C . . 160.66(16) ?
O18T Mo3 O2C . . 91.76(16) ?
O8B Mo3 O2C . . 70.90(12) ?
O9B Mo3 O2C . . 82.96(12) ?
O17T Mo3 O3C . . 92.54(15) ?
O18T Mo3 O3C . . 159.28(16) ?
O8B Mo3 O3C . . 83.03(13) ?
O9B Mo3 O3C . . 70.38(13) ?
O2C Mo3 O3C . . 70.78(11) ?
O19T Mo4 O20T . . 107.04(16) ?
O19T Mo4 O9B . . 100.65(15) ?
O20T Mo4 O9B . . 97.05(15) ?
O19T Mo4 O10B . . 99.01(15) ?
O20T Mo4 O10B . . 101.47(15) ?
O9B Mo4 O10B . . 147.60(13) ?
O19T Mo4 O3C . . 92.83(14) ?
O20T Mo4 O3C . . 158.72(14) ?
O9B Mo4 O3C . . 71.24(13) ?
O10B Mo4 O3C . . 82.34(13) ?
O19T Mo4 O4C . . 161.33(14) ?
O20T Mo4 O4C . . 90.53(14) ?
O9B Mo4 O4C . . 82.92(12) ?
O10B Mo4 O4C . . 70.65(12) ?
O3C Mo4 O4C . . 70.80(11) ?
O22T Mo5 O21T . . 106.73(18) ?
O22T Mo5 O10B . . 101.18(15) ?
O21T Mo5 O10B . . 103.69(15) ?
O22T Mo5 O11B . . 96.63(15) ?
O21T Mo5 O11B . . 90.77(15) ?
O10B Mo5 O11B . . 152.59(14) ?
O22T Mo5 O5C . . 95.73(15) ?
O21T Mo5 O5C . . 152.95(14) ?
O10B Mo5 O5C . . 86.07(13) ?
O11B Mo5 O5C . . 71.47(12) ?
O22T Mo5 O4C . . 166.58(15) ?
O21T Mo5 O4C . . 86.44(14) ?
O10B Mo5 O4C . . 72.56(12) ?
O11B Mo5 O4C . . 85.46(12) ?
O5C Mo5 O4C . . 72.30(12) ?
O23T Mo6 O24T . . 105.40(16) ?
O23T Mo6 O12B . . 101.61(17) ?
O24T Mo6 O12B . . 101.99(16) ?
O23T Mo6 O11B . . 96.50(16) ?
O24T Mo6 O11B . . 89.87(15) ?
O12B Mo6 O11B . . 154.72(14) ?
O23T Mo6 O5C . . 93.14(14) ?
O24T Mo6 O5C . . 155.73(14) ?
O12B Mo6 O5C . . 89.14(13) ?
O11B Mo6 O5C . . 72.28(12) ?
O23T Mo6 O6C . . 166.99(14) ?
O24T Mo6 O6C . . 87.60(14) ?
O12B Mo6 O6C . . 75.67(13) ?
O11B Mo6 O6C . . 82.71(13) ?
O5C Mo6 O6C . . 74.21(11) ?
Pt1 O1C Mo1 . . 104.21(13) ?
Pt1 O1C Mo2 . . 103.95(14) ?
Pt1 O2C Mo2 . . 101.92(13) ?
Pt1 O2C Mo3 . . 103.51(13) ?
Pt1 O2C H2 . . 116(4) ?
Mo2 O2C H2 . . 113(4) ?
Mo3 O2C H2 . . 125(4) ?
Pt1 O3C Mo4 . . 103.59(13) ?
Pt1 O3C Mo3 . . 102.74(13) ?
Pt1 O3C H3 . . 108(4) ?
Mo4 O3C H3 . . 124(4) ?
Mo3 O3C H3 . . 122(4) ?
Pt1 O4C Mo5 . . 100.53(13) ?
Pt1 O4C Mo4 . . 102.74(13) ?
Pt1 O4C H4 . . 124(5) ?
Mo5 O4C H4 . . 109(5) ?
Mo4 O4C H4 . . 122(5) ?
Pt1 O5C Mo6 . . 103.69(13) ?
Pt1 O5C Mo5 . . 104.87(14) ?
Pt1 O6C Mo6 . . 98.17(12) ?
Pt1 O6C Mo1 . . 98.14(13) ?
Pt1 O6C O6C . 7_656 120.8(2) ?
Mo6 O6C O6C . 7_656 121.27(19) ?
Mo1 O6C O6C . 7_656 120.85(19) ?
Pt1 O6C H6 . . 120.8(2) ?
Mo6 O6C H6 . . 121.27(19) ?
Mo1 O6C H6 . . 120.85(19) ?
O6C O6C H6 7_656 . 0.00(18) ?
Mo5 O11B H11 . . 118(7) ?
Mo6 O11B H11 . . 125(7) ?
N2 C1 N1 . . 123.5(6) ?
N2 C1 N3 . . 119.2(7) ?
N1 C1 N3 . . 117.0(6) ?
C1 N1 H1A . . 120.0 ?
C1 N1 H1B . . 120.0 ?
H1A N1 H1B . . 120.0 ?
C1 N2 H2A . . 120.0 ?
C1 N2 H2B . . 120.0 ?
H2A N2 H2B . . 120.0 ?
C1 N3 H3A . . 120.0 ?
C1 N3 H3B . . 120.0 ?
H3A N3 H3B . . 120.0 ?
N4 C2 N5 . . 119.7(5) ?
N4 C2 N6 . . 120.0(5) ?
N5 C2 N6 . . 120.3(5) ?
C2 N4 H4A . . 120.0 ?
C2 N4 H4B . . 120.0 ?
H4A N4 H4B . . 120.0 ?
C2 N5 H5A . . 120.0 ?
C2 N5 H5B . . 120.0 ?
H5A N5 H5B . . 120.0 ?
C2 N6 H6A . . 120.0 ?
C2 N6 H6B . . 120.0 ?
H6A N6 H6B . . 120.0 ?
N9 C3 N8 . . 121.1(5) ?
N9 C3 N7 . . 118.8(5) ?
N8 C3 N7 . . 120.1(5) ?
C3 N7 H7A . . 120.0 ?
C3 N7 H7B . . 120.0 ?
H7A N7 H7B . . 120.0 ?
C3 N8 H8A . . 120.0 ?
C3 N8 H8B . . 120.0 ?
H8A N8 H8B . . 120.0 ?
C3 N9 H9A . . 120.0 ?
C3 N9 H9B . . 120.0 ?
H9A N9 H9B . . 120.0 ?
N12 C4 N10 . . 120.6(9) ?
N12 C4 N11 . . 126.3(9) ?
N10 C4 N11 . . 112.7(7) ?
C4 N10 H10A . . 155(2) ?
C4 N12 H12A . . 113(7) ?
C4 N12 H12B . . 122(8) ?
H12A N12 H4AW . . 106(10) ?
H12B N12 H4AW . . 20(10) ?
H1AW O1W H1BW . . 100(6) ?
H2AW O2W H2BW . . 116(8) ?
H3AW O3W H3BW . . 92(8) ?
H4AW O4W H4BW . . 103(10) ?
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 O1C . 1.995(3) y
Pt1 O2C . 2.015(3) y
Pt1 O3C . 2.027(3) y
Pt1 O4C . 2.011(3) y
Pt1 O5C . 1.997(3) y
Pt1 O6C . 2.005(3) y
Mo1 O1C . 2.150(3) y
Mo1 O6C . 2.317(3) y
Mo2 O1C . 2.248(3) y
Mo2 O2C . 2.286(3) y
Mo3 O2C . 2.307(3) y
Mo3 O3C . 2.318(3) y
Mo4 O3C . 2.287(3) y
Mo4 O4C . 2.327(3) y
Mo5 O4C . 2.289(3) y
Mo5 O5C . 2.178(3) y
Mo6 O5C . 2.123(3) y
Mo6 O6C . 2.277(3) y
Mo1 O7B . 1.965(3) y
Mo1 O12B . 1.959(3) y
Mo2 O7B . 1.978(3) y
Mo2 O8B . 1.945(3) y
Mo3 O8B . 1.934(3) y
Mo3 O9B . 1.952(3) y
Mo4 O9B . 1.941(3) y
Mo4 O10B . 1.959(3) y
Mo5 O10B . 1.895(3) y
Mo5 O11B . 2.058(3) y
Mo6 O11B . 2.075(4) y
Mo6 O12B . 1.894(4) y
Mo1 O14T . 1.706(3) ?
Mo1 O13T . 1.735(3) ?
Mo2 O15T . 1.702(3) ?
Mo2 O16T . 1.713(3) ?
Mo3 O17T . 1.705(4) ?
Mo3 O18T . 1.706(4) ?
Mo4 O19T . 1.704(3) ?
Mo4 O20T . 1.706(3) ?
Mo5 O22T . 1.708(3) ?
Mo5 O21T . 1.719(3) ?
Mo6 O23T . 1.710(3) ?
Mo6 O24T . 1.732(3) ?
O2C H2 . 0.96(2) ?
O3C H3 . 0.96(2) ?
O4C H4 . 0.95(2) ?
O6C O6C 7_656 2.532(6) ?
O6C H6 . 1.266(3) ?
O11B H11 . 0.95(2) ?
C1 N2 . 1.254(8) ?
C1 N1 . 1.451(10) ?
C1 N3 . 1.451(10) ?
N1 H1A . 0.8800 ?
N1 H1B . 0.8800 ?
N2 H2A . 0.8800 ?
N2 H2B . 0.8800 ?
N3 H3A . 0.8800 ?
N3 H3B . 0.8800 ?
C2 N4 . 1.304(7) ?
C2 N5 . 1.314(6) ?
C2 N6 . 1.317(7) ?
N4 H4A . 0.8800 ?
N4 H4B . 0.8800 ?
N5 H5A . 0.8800 ?
N5 H5B . 0.8800 ?
N6 H6A . 0.8800 ?
N6 H6B . 0.8800 ?
C3 N9 . 1.303(7) ?
C3 N8 . 1.310(7) ?
C3 N7 . 1.322(6) ?
N7 H7A . 0.8800 ?
N7 H7B . 0.8800 ?
N8 H8A . 0.8800 ?
N8 H8B . 0.8800 ?
N9 H9A . 0.8800 ?
N9 H9B . 0.8800 ?
C4 N12 . 1.320(12) ?
C4 N10 . 1.340(10) ?
C4 N11 . 1.387(10) ?
N10 H10A . 0.893(17) ?
N11 H11A . 0.898(18) ?
N12 H12A . 0.90(2) ?
N12 H12B . 0.90(2) ?
O1W H1AW . 0.94(2) ?
O1W H1BW . 0.95(2) ?
O2W H2AW . 0.94(2) ?
O2W H2BW . 0.95(2) ?
O3W H3AW . 0.93(2) ?
O3W H3BW . 0.94(2) ?
O4W H4AW . 0.95(2) ?
O4W H4BW . 0.95(2) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O2C H2 O24T 7_656 0.96(2) 1.61(2) 2.578(5) 179(6) y
O3C H3 O2W . 0.96(2) 1.69(3) 2.622(6) 164(7) y
O4C H4 O13T 7_656 0.95(2) 1.63(2) 2.568(5) 173(9) y
O6C H6 O6C 7_656 1.266 1.266 2.532(6) 180.0 y
O11B H11 O7B 7_656 0.95(2) 1.74(2) 2.679(5) 173(10) y
N1 H1B O1C . 0.88 2.05 2.864(6) 153.7 y
N1 H1A O3W . 0.88 2.33 2.973(9) 130.1 y
N2 H2A O18T 1_545 0.88 2.08 2.940(7) 165.3 y
N2 H2B O19T 5_656 0.88 2.22 3.043(6) 154.7 y
N3 H3B O8B . 0.88 2.04 2.874(7) 156.6 y
N3 H3A O2W 5_656 0.88 2.25 2.979(9) 140.0 y
N4 H4B O14T 1_565 0.88 2.09 2.944(6) 164.3 y
N4 H4A O24T 7_656 0.88 2.48 3.006(6) 118.9 y
N5 H5A O16T . 0.88 2.06 2.890(6) 156.8 y
N5 H5B O21T 6_566 0.88 2.18 2.973(5) 149.4 y
N6 H6A O15T 1_565 0.88 2.19 2.894(6) 136.4 y
N6 H6B O21T 6_566 0.88 2.59 3.281(6) 136.4 y
N7 H7B O19T . 0.88 2.40 2.936(5) 119.3 y
N7 H7A O1W . 0.88 2.11 2.927(6) 153.7 y
N8 H8B O13T 8_455 0.88 2.39 3.006(6) 127.8 y
N8 H8A O23T 2_665 0.88 2.04 2.918(6) 177.7 y
N9 H9A O22T 2_665 0.88 2.21 2.938(7) 140.0 y
O1W H1AW O9B . 0.94(2) 2.20(5) 2.916(5) 132(5) y
O1W H1BW O17T 5_666 0.95(2) 1.85(3) 2.783(5) 166(6) y
O2W H2BW O4W 1_545 0.95(2) 2.24(7) 2.902(12) 126(6) y
O3W H3BW O9B 1_545 0.94(2) 2.35(8) 3.029(7) 128(8) y
