Triammonium nonaiododiantimonate(III), (NH~4~)~3~[Sb~2~I~9~]
Zhang, Hui; Fang, Liang; Yuan, Run-Zhang; Acta Crystallographica Section E 61 (2005) i70–i72; doi:10.1107/S1600536805011098

data_2205823
_publ_section_title
;
 Triammonium nonaiododiantimonate(III), (NH~4~)~3~[Sb~2~I~9~]
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i70
_journal_page_last               i72
_journal_paper_doi               10.1107/S1600536805011098
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '(N H4)3 [Sb2 I9]'
_chemical_formula_structural     '(N H4)3 (Sb2 I9)'
_chemical_formula_sum            'H12 I9 N3 Sb2'
_chemical_formula_weight         1439.75
_chemical_name_common            'Ammonium antimony iodide'
_chemical_name_systematic
;
Triammonium nonaiododiantimonate(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.530(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.394(3)
_cell_length_b                   8.0685(18)
_cell_length_c                   20.505(5)
_cell_measurement_reflns_used    5949
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      1.72
_cell_volume                     2381.3(9)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ATOMS (Dowty, 2002) and DIAMOND (Brandenburg, 2001)'
_computing_publication_material  SHELXL97)
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART Apex CCD diffractometer'
_diffrn_measurement_method       '\w scan'
_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  0.0668
_diffrn_reflns_av_sigmaI/netI    0.0521
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31497
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.921
_exptl_absorpt_correction_T_max  0.251
_exptl_absorpt_correction_T_min  0.151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.016
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.089
_refine_diff_density_min         -0.980
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         5949
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0406
_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^)+(0.0263P)^2^+6.8306P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                4013
_reflns_number_total             5949
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm6059.cif
_cod_data_source_block           I
_cod_original_cell_volume        2381.4(9)
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'H12 I9 N3 Sb2 '
_cod_database_code               2205823
_cod_database_fobs_code          2205823