Platinum polyoxoniobates
Abramov, P. A.; Vicent, C.; Kompankov, N. B.; Gushchin, A. L.; Sokolov, M. N.; Chemical Communications (Cambridge, United Kingdom) 51 (2015) 4021–4023; doi:10.1039/c5cc00315f

data_7116612
_publ_section_title
;
 Platinum polyoxoniobates
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   19
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              4021
_journal_page_last               4023
_journal_paper_doi               10.1039/c5cc00315f
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'Cs2 H30.8 K10 Nb12 O65.4 Pt2'
_chemical_formula_weight         3239.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                96.136(4)
_cell_angle_beta                 98.791(4)
_cell_angle_gamma                96.912(5)
_cell_formula_units_Z            1
_cell_length_a                   10.5213(16)
_cell_length_b                   12.6202(19)
_cell_length_c                   15.122(2)
_cell_measurement_reflns_used    5562
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.55
_cell_measurement_theta_min      2.21
_cell_volume                     1953.8(5)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker-AXS, 2004)'
_computing_publication_material  'CIFTAB-97 (Sheldrick, 1998)'
_computing_structure_refinement  SHELXL-2013
_computing_structure_solution    SHELXS-2013
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'Bruker Apex Duo'
_diffrn_measurement_method       '\f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_unetI/netI     0.0708
_diffrn_reflns_Laue_measured_fraction_full 0.916
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13586
_diffrn_reflns_point_group_measured_fraction_full 0.916
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.554
_diffrn_reflns_theta_min         1.639
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.806
_exptl_absorpt_correction_T_max  0.727
_exptl_absorpt_correction_T_min  0.199
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.753
_exptl_crystal_description       needle
_exptl_crystal_F_000             1502
_exptl_crystal_size_max          0.351
_exptl_crystal_size_mid          0.073
_exptl_crystal_size_min          0.050
_refine_diff_density_max         4.298
_refine_diff_density_min         -2.968
_refine_diff_density_rms         0.424
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0820
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0652P)^2^+179.1834P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2189
_refine_ls_wR_factor_ref         0.2301
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5926
_reflns_number_total             7405
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5cc00315f1.cif
_cod_data_source_block           358d
_cod_original_cell_volume        1953.7(5)
_cod_original_formula_sum        'H30.80 Cs2 K10 Nb12 O65.40 Pt2'
_cod_database_code               7116612
_shelx_estimated_absorpt_t_min   0.199
_shelx_estimated_absorpt_t_max   0.727
_shelxl_version_number           2013-4
_shelx_res_checksum              24056
_shelx_hkl_checksum              77966