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_4319910
_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            'C50 H44 Cl8 N4 O6 P Ru'
_chemical_formula_weight         1212.59
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.663(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.874(2)
_cell_length_b                   13.565(1)
_cell_length_c                   21.841(1)
_cell_measurement_reflns_used    4
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.5
_cell_volume                     5248.3(7)
_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 0.9919
_diffrn_measured_fraction_theta_max 0.9919
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28208
_diffrn_reflns_theta_full        22.30
_diffrn_reflns_theta_max         22.30
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.946
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.97
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.322
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     634
_refine_ls_number_reflns         3727
_refine_ls_R_factor_gt           0.0738
_refine_ls_shift/su_max          1.0574
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                3727
_reflns_number_total             6643
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0010252_6.cif
_cod_data_source_block           Comp9
_cod_original_cell_volume        5248.5(8)
_cod_original_formula_sum        'C50 H44 Cl8 N4 O6 P Ru '
_cod_database_code               4319910