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_4319908
_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            'C80 H70 Cl16 Na2 O16 P2 Ru2'
_chemical_formula_weight         2164.74
_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                 114.004(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.9343(8)
_cell_length_b                   26.275(2)
_cell_length_c                   15.3341(5)
_cell_measurement_temperature    173.2
_cell_volume                     4760.6(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 0.9566
_diffrn_measured_fraction_theta_max 0.9566
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            35625
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_exptl_absorpt_coefficient_mu    0.867
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.933
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.26
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.273
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     532
_refine_ls_number_reflns         3899
_refine_ls_R_factor_gt           0.0815
_refine_ls_shift/su_max          1.5677
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0879
_reflns_number_gt                3899
_reflns_number_total             10619
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic0010252_4.cif
_cod_data_source_block           Comp6
_cod_original_cell_volume        4760.6(4)
_cod_original_formula_sum        'C80 H70 Cl16 Na2 O16 P2 Ru2 '
_cod_database_code               4319908