A monoclinic modification of K~3~[InCl~6~]
Chen, Lin; Wu, Bo-Lin; He, Xiao-Yi; Mi, Jin-Xiao; Acta Crystallographica Section E 62 (2006) i143–i144; doi:10.1107/S1600536806020976

data_2209398
_publ_section_title
;
 A monoclinic modification of K~3~[InCl~6~]
;
_journal_coeditor_code           BR2009
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i143
_journal_page_last               i144
_journal_paper_doi               10.1107/S1600536806020976
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'K3 (In Cl6 )'
_chemical_formula_structural     'K3 (In Cl6 )'
_chemical_formula_sum            'Cl6 In K3'
_chemical_formula_weight         444.82
_chemical_name_systematic
;
tripotassium indium(III) hexachloride
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.957(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.188(3)
_cell_length_b                   7.5530(17)
_cell_length_c                   12.703(3)
_cell_measurement_reflns_used    6419
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      29.42
_cell_measurement_theta_min      0.833
_cell_volume                     1106.0(5)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2004)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6419
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.647
_exptl_absorpt_correction_T_max  0.6594
_exptl_absorpt_correction_T_min  0.1986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.920
_refine_diff_density_min         -1.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_matrix_type           full
_refine_ls_number_parameters     94
_refine_ls_number_reflns         2548
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0314
_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^)+(0.0527P)^2^+0.923P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                2341
_reflns_number_total             2548
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br2009.cif
_cod_data_source_block           I
_cod_database_code               2209398
_cod_database_fobs_code          2209398