(2,2'-Bipyridine-6,6'-dicarboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III)
Wang, Huimin; Gu, Xiaojun; Zhang, Bingbing; Su, Haiquan; Hu, Ming; Acta Crystallographica Section E 68 (2012) m290–m291; doi:10.1107/S1600536812004850

data_2234072
_publ_section_title
;
 (2,2'-Bipyridine-6,6'-dicarboxylato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-\k^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III)
;
_journal_coeditor_code           ZQ2151
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m290
_journal_page_last               m291
_journal_paper_doi               10.1107/S1600536812004850
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Rh (C12 H6 N2 O4) (C12 H7 N2 O4)]'
_chemical_formula_moiety         'C24 H13 N4 O8 Rh'
_chemical_formula_sum            'C24 H13 N4 O8 Rh'
_chemical_formula_weight         588.29
_chemical_name_systematic
;
(2,2'-Bipyridine-6,6'-dicarboxylato-
\k^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)(6'-carboxy-2,2'-bipyridine-6-carboxylato-
\k^3^<i>N</i>,<i>N</i>',<i>O</i>^6^)rhodium(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.6960(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3308(4)
_cell_length_b                   13.6186(6)
_cell_length_c                   16.9974(8)
_cell_measurement_temperature    296(2)
_cell_volume                     2122.37(16)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2006)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0173
_diffrn_reflns_av_sigmaI/netI    0.0186
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15424
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.869
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.420
_refine_diff_density_min         -0.583
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         5269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0226
_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^)+(0.0317P)^2^+1.1072P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0610
_reflns_number_gt                4714
_reflns_number_total             5269
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2151.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2234072
_cod_database_fobs_code          2234072