Crystal structure of indium triiodate trihydrate, In[IO~3~]~3~ · 3H~2~O
Phanon, D.; Gautier-Luneau, I.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 249–250; doi:

data_8102946
_publ_section_title
;
Crystal structure of indium triiodate trihydrate, In[IO~3~]~3~ &#x00B7; 
3H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              249
_journal_page_last               250
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     'In[IO3]3 &#x00B7; 3H2O'
_chemical_formula_sum            'H6 I3 In O12'
_chemical_formula_weight         693.52
_chemical_name_systematic
;
 indium triiodate trihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.01(2)
_cell_angle_beta                 107.75(1)
_cell_angle_gamma                93.59(1)
_cell_formula_units_Z            2
_cell_length_a                   6.862(1)
_cell_length_b                   7.282(2)
_cell_length_c                   11.137(3)
_cell_measurement_temperature    293(1)
_cell_volume                     526.6(2)
_computing_molecular_graphics    GRETEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56085
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            14815
_diffrn_reflns_theta_full        21.39
_diffrn_reflns_theta_max         21.39
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    5.87
_exptl_absorpt_correction_T_max  0.644
_exptl_absorpt_correction_T_min  0.262
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Coppens, 1970'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    4.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.001
_refine_diff_density_min         -1.938
_refine_diff_density_rms         0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2415
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0482P)^2^+5.2321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0894
_reflns_number_gt                2158
_reflns_number_total             2415
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409881.cff
_cod_data_source_block           In(IO3)3_3H2O
_cod_original_cell_volume        526.7(2)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'H6 I3 In1 O12'
_cod_database_code               8102946