Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')dichloridorhodium(III) perchlorate
Dikhtiarenko, Alla; Torre-Fernández, Laura; García-Granda, Santiago; García, José R.; Gimeno, José; Acta Crystallographica Section E 68 (2012) m713–m714; doi:10.1107/S1600536812018685

data_2235155
_publ_section_title
;
 Bis(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')dichloridorhodium(III)
 perchlorate
;
_journal_coeditor_code           LR2059
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m713
_journal_page_last               m714
_journal_paper_doi               10.1107/S1600536812018685
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Rh Cl2 (C10 H8 N2)2] Cl O4'
_chemical_formula_moiety         'C20 H16 Cl2 N4 Rh +, Cl O4 -'
_chemical_formula_sum            'C20 H16 Cl3 N4 O4 Rh'
_chemical_formula_weight         585.63
_chemical_name_systematic
;
Bis(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')dichloridorhodium(III) perchlorate
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.0344(2)
_cell_length_b                   11.6796(2)
_cell_length_c                   17.0884(3)
_cell_measurement_reflns_used    4926
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.0905
_cell_measurement_theta_min      3.4769
_cell_volume                     2202.31(7)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material
'WinGX (Farrugia, 1999) and enCIFer (Allen <i>et al.</i>, 2004)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2673
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  'Agilent Xcalibur Ruby Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12115
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         32.0905
_diffrn_reflns_theta_min         3.4769
_exptl_absorpt_coefficient_mu    1.176
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.97265
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rhombohedron
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.1913
_exptl_crystal_size_mid          0.1619
_exptl_crystal_size_min          0.1148
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.248
_refine_ls_abs_structure_details 'Flack  (1983), 2630 Friedel pairs'
_refine_ls_abs_structure_Flack   0.47(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         6922
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0292P)^2^+0.1669P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0809
_reflns_number_gt                5569
_reflns_number_total             6922
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            lr2059.cif
_cod_data_source_block           I
_cod_original_cell_volume        2202.33(8)
_cod_database_code               2235155
_cod_database_fobs_code          2235155