Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate
Sivanesan, Dharmalingam; Kim, Hyung Min; Sungho, Yoon; Acta Crystallographica Section C 69 (2013) 584–587; doi:10.1107/S0108270113009633

data_2018974
_publ_section_title
;
 Chlorido(dimethyl
 2,2'-bipyridine-4,4'-dicarboxylate-\k^2^<i>N</i>,<i>N</i>')(\h^5^-pentamethylcyclopentadienyl)rhodium(III)
 chloride 1-hydroxypyrrolidine-2,5-dione disolvate
;
_journal_coeditor_code           MX3092
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              584
_journal_page_last               587
_journal_paper_doi               10.1107/S0108270113009633
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Rh (C10 H15) Cl (C14 H12 N2 O4)] Cl, 2C4 H5 N O3'
_chemical_formula_moiety         'C24 H27 Cl N2 O4 Rh +, Cl -, 2(C4 H5 N O3)'
_chemical_formula_sum            'C32 H37 Cl2 N4 O10 Rh'
_chemical_formula_weight         811.47
_chemical_name_systematic
;Chlorido(dimethyl
2,2'-bipyridine-4,4'-dicarboxylate-\k^2^<i>N</i>,<i>N</i>')(\h^5^-pentamethylcyclopentadienyl)rhodium(III) chloride
1-hydroxypyrrolidine-2,5-dione disolvate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.723(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.6511(7)
_cell_length_b                   33.613(3)
_cell_length_c                   11.9147(9)
_cell_measurement_reflns_used    3791
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.87
_cell_measurement_theta_min      2.36
_cell_volume                     3460.8(5)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2000)'
_computing_data_collection       '<i>SMART</i> (Bruker, 2000)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0956
_diffrn_reflns_av_sigmaI/netI    0.1298
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20576
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.604
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.849
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         6273
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.849
_refine_ls_R_factor_all          0.1048
_refine_ls_R_factor_gt           0.0503
_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^)+(0.0114P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                3649
_reflns_number_total             6273
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mx3092.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2018974
_cod_database_fobs_code          2018974