Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large π-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures, and Electrochemical Studies
Shuhei Furukawa; Susumu Kitagawa; Inorganic Chemistry 43 (2004) 6464–6472; doi:10.1021/ic0493752

data_4311679
_publ_contact_author_address
;
    Department of Synthetic Chemistry and Biological Chemistry, 
    Graduate School of Engineering, Kyoto University,
    Katsura, Nishikyo-ku, Kyoto 615-8510, Japan
;
_publ_contact_author_email       ' kitagawa@sbchem.kyoto-u.ac.jp '
_publ_contact_author_fax         '+81-75-383-2732 '
_publ_contact_author_name        'Shuhei Furukawa and Susumu Kitagawa'
_publ_contact_author_phone       +81-75-383-2733
_publ_section_title
;
 Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large
 \p-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures,
 and Electrochemical Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6464
_journal_page_last               6472
_journal_paper_doi               10.1021/ic0493752
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C68 H52 O10 Ru2'
_chemical_formula_weight         1231.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Mon Aug 25 13:47:30 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 94.586(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.336(3)
_cell_length_b                   22.802(7)
_cell_length_c                   22.722(7)
_cell_measurement_reflns_used    15679
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     5338(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9785
_diffrn_measured_fraction_theta_max 0.9785
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37794
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.631
_exptl_absorpt_correction_T_max  0.828
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.694
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     721
_refine_ls_number_reflns         7517
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.00500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                7517
_reflns_number_total             11989
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0493752si20040513_112312_3.cif
_cod_data_source_block           '_Ru2Ant4THF2_Complex3'
_cod_original_cell_volume        5337.6(2)
_cod_original_formula_sum        'C68 H52 O10 Ru2 '
_cod_database_code               4311679