Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry
Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.; Acta Crystallographica Section C 69 (2013) 1462–1466; doi:10.1107/S010827011303076X

data_2019307
_publ_section_title
;
 Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from
 powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned
 by merohedry
;
_journal_coeditor_code           LG3133
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1462
_journal_page_last               1466
_journal_paper_doi               10.1107/S010827011303076X
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Rh Cl3 (N H3)3]'
_chemical_formula_moiety         'Cl3 H9 N3 Rh'
_chemical_formula_sum            'Cl3 H9 N3 Rh'
_chemical_formula_weight         260.36
_chemical_name_systematic
;
<i>fac</i>-Triamminetrichloridorhodium(III)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.149(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.7279(3)
_cell_length_b                   9.7888(4)
_cell_length_c                   5.4611(2)
_cell_measurement_temperature    300
_cell_volume                     358.21(3)
_computing_cell_refinement       'TOPAS Rietveld (Bruker, 2008<i>b</i>)'
_computing_data_collection       'XRD Wizard (Bruker, 2007)'
_computing_data_reduction        'XRD Wizard (Bruker, 2007)'
_computing_structure_refinement  'TOPAS Rietveld (Bruker, 2008<i>b</i>)'
_computing_structure_solution
'TOPAS Phase annealing (Bruker, 2008<i>b</i>)'
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'VANTEC linear detector'
_diffrn_measurement_method       \q--2\q
_diffrn_radiation_monochromator  none
_diffrn_radiation_type           'Cu K\a~1~'
_exptl_absorpt_coefficient_mu    28.779
_exptl_crystal_density_diffrn    2.414
_pd_char_colour                  yellow
_pd_meas_2theta_range_inc        0.016
_pd_meas_2theta_range_max        139.9869
_pd_meas_2theta_range_min        5
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
PO-March Dollase - 1 Dir (0 0 1)
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        4.215
_pd_proc_ls_prof_wR_expected     1.538
_pd_proc_ls_prof_wR_factor       4.555
_pd_proc_number_of_points        8436.68125
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   2.961
_refine_ls_goodness_of_fit_ref   2.961
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     78
_refine_ls_number_restraints     16
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            lg3133.cif
_cod_data_source_block           I
_cod_original_cell_volume        358.21(2)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2019307