Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations
Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.; Acta Crystallographica Section C 55 (1999) 1075–1079; doi:10.1107/S0108270199003339

data_2008725
_publ_section_title
;
 Three anionic polymeric networks: sodium(I)--ruthenium(III),
 sodium(I)--rhodium(III) and sodium(I)--aluminium(III) \m-oxalato
 complexes with tris(2,2'-bipyridine)ruthenium(II) cations
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1075
_journal_page_last               1079
_journal_paper_doi               10.1107/S0108270199003339
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Ru (C10 H8 N2)3] [Na Rh (C2 O4)3]'
_chemical_formula_moiety         'C6 O12 Na Rh, C30 H24 N6 Ru'
_chemical_formula_sum            'C36 H24 N6 Na O12 Rh Ru'
_chemical_formula_weight         959.58
_chemical_name_systematic
;
 Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(\m-oxalato)rhodate(III)
;
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.515(2)
_cell_length_b                   15.515(2)
_cell_length_c                   15.515(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      16.0
_cell_measurement_theta_min      7.9
_cell_volume                     3734.7(8)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_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  0.032
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10892
_diffrn_reflns_theta_full        33.93
_diffrn_reflns_theta_max         33.93
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_count 400
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  0.706
_exptl_absorpt_correction_T_min  0.481
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_meas      1.68
_exptl_crystal_density_method    'flotation in diiodomethane/toluene'
_exptl_crystal_description       Tetrahedral
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.45
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.502
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_coef       2.9E-4(9)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         3441
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.034
_refine_ls_R_factor_gt           0.023
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0320P)^2^+0.8643P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.065
_reflns_number_gt                2985
_reflns_number_total             3441
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1212.cif
_cod_data_source_block           2
_cod_database_code               2008725