Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)
Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa; Inorganic Chemistry 40 (2001) 3544–3554; doi:10.1021/ic0010252

data_4319907
_publ_section_title
;
 Syntheses, Structures, and Physicochemical Properties of Diruthenium
 Compounds of Tetrachlorocatecholate with Metal-Metal Bonded
 Ru3+(\m-OR)2Ru3+ and Ru3.5+(\m-OR)2Ru3.5+ Cores (R = CH3 and C2H5)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3544
_journal_page_last               3554
_journal_paper_doi               10.1021/ic0010252
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C60 H72 Cl16 Na3 O27 Ru2'
_chemical_formula_weight         2063.57
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.6069(3)
_cell_length_b                   15.769(1)
_cell_length_c                   24.4792(4)
_cell_measurement_temperature    173.2
_cell_volume                     8340.5(6)
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9430
_diffrn_measured_fraction_theta_max 0.9430
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            30096
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_exptl_absorpt_coefficient_mu    0.963
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.230
_refine_diff_density_max         3.75
_refine_diff_density_min         -4.64
_refine_ls_abs_structure_Flack   1.03(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.088
_refine_ls_number_parameters     230
_refine_ls_number_reflns         4248
_refine_ls_R_factor_gt           0.0975
_refine_ls_shift/su_max          0.0041
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                4248
_reflns_number_total             4819
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0010252_3.cif
_cod_data_source_block           Comp5
_cod_original_cell_volume        8340.7(7)
_cod_original_formula_sum        'C60 H72 Cl16 Na3 O27 Ru2 '
_cod_database_code               4319907