<i>mer</i>-Trichlorotris(2,3-dihydrobenzo[<i>b</i>]thiophene-<i>S</i>)rhodium(III)
Parvez, M.; Fait, J. F.; Clark, P. D.; Jones, C. G.; Acta Crystallographica Section C 49 (1993) 383–385; doi:10.1107/S0108270192009545

data_2002006
_publ_section_title
<i>mer</i>-Trichlorotris(2,3-dihydrobenzo[<i>b</i>]thiophene-<i>S</i>)rhodium(III)
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              383
_journal_page_last               385
_journal_paper_doi               10.1107/S0108270192009545
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C24 H24 Cl3 Rh1 S3'
_chemical_formula_sum            'C24 H24 Cl3 Rh S3'
_chemical_formula_weight         617.91
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
;
International Tables for X-ray Crystallography (1974, Vol. IV, Table 2.2B)
;
_cell_angle_alpha                90
_cell_angle_beta                 109.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.947(2)
_cell_length_b                   31.447(3)
_cell_length_c                   10.2750(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     2419.5(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'Variable speed \w/2\q'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7764
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.24
_exptl_absorpt_correction_T_max  1.107
_exptl_absorpt_correction_T_min  0.877
_exptl_absorpt_correction_type   'DIFABS (Walker & Stewart, 1983)'
_exptl_crystal_colour            Orange--red
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      1.65(4)
_exptl_crystal_density_method    flotation?
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.7
_refine_diff_density_min         -1.1
_refine_ls_goodness_of_fit_obs   2.377
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4625
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          4625
_reflns_number_total             7029
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            br1009.cif
_cod_data_source_block           br1009_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2419.48
_cod_original_formula_sum        'C24 H24 Cl3 Rh1 S3'
_cod_database_code               2002006