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_4319906
_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)
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_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            'C61 H74 Cl16 Na3 O27 Ru2'
_chemical_formula_weight         2077.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.303(2)
_cell_angle_beta                 87.1994(8)
_cell_angle_gamma                80.4219(7)
_cell_formula_units_Z            2
_cell_length_a                   12.657(1)
_cell_length_b                   16.5820(5)
_cell_length_c                   20.887(2)
_cell_measurement_temperature    173.2
_cell_volume                     4199.5(5)
_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 0.9250
_diffrn_measured_fraction_theta_max 0.9250
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31109
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_exptl_absorpt_coefficient_mu    0.956
_exptl_absorpt_correction_T_max  0.842
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.66
_refine_diff_density_min         -1.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.644
_refine_ls_number_parameters     982
_refine_ls_number_reflns         14345
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.0054
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                14345
_reflns_number_total             17889
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0010252_2.cif
_cod_data_source_block           Comp4
_cod_original_cell_volume        4199.3(5)
_cod_original_formula_sum        'C61 H74 Cl16 Na3 O27 Ru2 '
_cod_database_code               4319906