[PtBi2I12](2-): the first polyiodobismuthate containing an octahedral heterometallic unit.
Adonin, Sergey A.; Sokolov, Maxim N.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Fedin, Vladimir P.; Dalton transactions (Cambridge, England : 2003) 42 (2013) 9818–9821; doi:10.1039/c3dt51048d

data_7021551
_publ_section_title
;
 [PtBi2I12](2-): the first polyiodobismuthate containing an octahedral
 heterometallic unit.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9818
_journal_page_last               9821
_journal_paper_doi               10.1039/c3dt51048d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C45 H90 Na4 O15, 2(Bi2 I12 Pt), 3(C3 H6 O)'
_chemical_formula_sum            'C54 H108 Bi4 I24 Na4 O18 Pt2'
_chemical_formula_weight         5409.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   13.9687(9)
_cell_length_b                   13.9687(9)
_cell_length_c                   57.126(8)
_cell_measurement_reflns_used    1658
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.25
_cell_measurement_theta_min      2.92
_cell_volume                     9653.3(16)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  'SHELXTL (Bruker, 2004)'
_computing_structure_refinement  'SHELXTL (Bruker, 2004)'
_computing_structure_solution    'SHELXTL (Bruker, 2004)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Nonius X8Apex CCD area-detector'
_diffrn_measurement_method       '\f scans'
_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  0.0652
_diffrn_reflns_av_sigmaI/netI    0.1053
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -71
_diffrn_reflns_number            7335
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.427
_exptl_absorpt_correction_T_max  0.8774
_exptl_absorpt_correction_T_min  0.1409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             7140
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.01
_platon_squeeze_details
;
The solvent acetone molecules appeared to be highly disordered and it
was difficult to model their positions reliably. Therefore, the structure
was treated via PLATON/SQUEEZE (van der Sluis & Spek, 1990; Spek, 2003)
procedure to remove the contribution of the electron density in the solvent
regions from the intensity data, and the solvent-free model was emplyed from
the final refinement. The total potential solvent accessible void volume was
estimated to be 1376.2 Ang**3 and the electron count per unit cell was 271,
which were assigned to 9 acetone molecules per unit cell or 3 acetone
molecules per formula unit.
;
_refine_diff_density_max         6.997
_refine_diff_density_min         -2.703
_refine_diff_density_rms         0.419
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.020(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         4335
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1334P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1885
_refine_ls_wR_factor_ref         0.2043
_reflns_number_gt                3366
_reflns_number_total             4335
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51048d.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'R 32'
_cod_database_code               7021551