Trichlorobis(tetrahydrofuran)indium(III)
Whittlesey, B. R.; Ittycheriah, I. P.; Acta Crystallographica Section C 50 (1994) 693–695; doi:10.1107/S0108270193010613

data_2009744
_publ_section_title
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 Trichlorobis(tetrahydrofuran)indium(III)
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_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              693
_journal_page_last               695
_journal_paper_doi               10.1107/S0108270193010613
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C8 H16 Cl3 In O2'
_chemical_formula_weight         365.39
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.8050(10)
_cell_length_b                   10.1140(10)
_cell_length_c                   13.1100(10)
_cell_measurement_reflns_used    43
_cell_measurement_temperature    296
_cell_measurement_theta_max      12.476
_cell_measurement_theta_min      5.437
_cell_volume                     1432.7(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0151
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            1400
_diffrn_reflns_theta_max         23.15
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.140
_exptl_absorpt_correction_T_max  0.9625
_exptl_absorpt_correction_T_min  0.7753
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.37
_refine_ls_goodness_of_fit_obs   1.52
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     65
_refine_ls_number_reflns         618
_refine_ls_R_factor_obs          0.0347
_refine_ls_shift/esd_max         0.009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0330
_reflns_number_observed          618
_reflns_number_total             1016
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            st1063.cif
_cod_data_source_block           st1063_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0001F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.0001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1432.8(2)
_cod_original_formula_sum        'C8 H16 Cl3 In1 O2'
_cod_database_code               2009744