Aqueous Telluridoindate Chemistry: Water-Soluble Salts of Monomeric, Dimeric, and Trimeric In/Te Anions [InTe4]5-, [In2Te6]6-, and [In3Te10]11-
Johanna Heine; Stefanie Dehnen; Inorganic Chemistry 49 (2010) 11216–11222; doi:10.1021/ic101881j

data_4317233
_publ_section_title
;
 Aqueous Telluridoindate Chemistry: Water-Soluble Salts of Monomeric,
 Dimeric, and Trimeric In/Te Anions [InTe4]5-, [In2Te6]6-, and
 [In3Te10]11-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11216
_journal_page_last               11222
_journal_paper_doi               10.1021/ic101881j
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'In Te4, 5(H2 O), 5(K)'
_chemical_formula_sum            'H10 In K5 O5 Te4'
_chemical_formula_weight         910.80
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.788(3)
_cell_length_b                   11.111(4)
_cell_length_c                   20.156(5)
_cell_measurement_reflns_used    8862
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      54.47
_cell_measurement_theta_min      6.14
_cell_volume                     1968.1(11)
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.810
_diffrn_measured_fraction_theta_max 0.823
_diffrn_measurement_device_type  'Stoe IPDS 2'
_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  0.0674
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            5314
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.68
_diffrn_reflns_theta_min         4.66
_exptl_absorpt_coefficient_mu    8.066
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.368
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'A.L.Spek (2003) J. Appl. Cryst. 36, 7-13'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.074
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.80
_refine_diff_density_min         -3.74
_refine_diff_density_rms         0.63
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_reflns         3014
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0418
_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^)+(0.1244P)^2^+50.9769P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                2825
_reflns_number_total             3014
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101881j_si_003.cif
_cod_data_source_block           compound2
_cod_database_code               4317233