Molecule-Based Magnets Formed by Bimetallic Three-Dimensional Oxalate Networks and Chiral Tris(bipyridyl) Complex Cations. The Series [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII= Ru, Fe, Co, and Ni; MII= Mn, Fe, Co, Ni, Cu, and Zn; ox = Oxalate Dianion)
E. Coronado; J. R. Galán-Mascarós; C. J. Gómez-García; J. M. Martínez-Agudo; Inorganic Chemistry 40 (2001) 113–120; doi:10.1021/ic0008870

data_4319138
_publ_section_title
;
 Molecule-Based Magnets Formed by Bimetallic Three-Dimensional Oxalate
 Networks and Chiral Tris(bipyridyl) Complex Cations. The Series
 [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII= Ru, Fe, Co, and Ni; MII= Mn, Fe,
 Co, Ni, Cu, and Zn; ox = Oxalate Dianion)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              113
_journal_page_last               120
_journal_paper_doi               10.1021/ic0008870
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C36 H24 Cl Cr Mn N6 O16 Ru'
_chemical_formula_weight         1040.1
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           213
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.506(2)
_cell_length_b                   15.506(2)
_cell_length_c                   15.506(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3728.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazo et al., 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3915
_diffrn_reflns_theta_full        26.91
_diffrn_reflns_theta_max         26.91
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    1.179
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2080
_refine_diff_density_max         1.550
_refine_diff_density_min         -2.472
_refine_diff_density_rms         0.207
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.23(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         1364
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.071
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1446P)^2^+4.8035P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.2123
_reflns_number_gt                1090
_reflns_number_total             1364
_reflns_threshold_expression     >4sigma(I)
_cod_data_source_file            ic0008870.cif
_cod_data_source_block           r
_cod_original_formula_sum        'C36 H24 Cl1 Cr1 Mn1 N6 O16 Ru1'
_cod_database_code               4319138