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_4311678
_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_moiety         'C26 H22 O5 Ru '
_chemical_formula_sum            'C26 H22 O5 Ru'
_chemical_formula_weight         515.53
_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'
_audit_creation_date             'Mon Aug 25 13:22:31 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                75.787(10)
_cell_angle_beta                 85.32(1)
_cell_angle_gamma                65.474(6)
_cell_formula_units_Z            2
_cell_length_a                   9.462(2)
_cell_length_b                   10.747(2)
_cell_length_c                   12.156(3)
_cell_measurement_reflns_used    3875
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1089.9(4)
_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 0.9472
_diffrn_measured_fraction_theta_max 0.9472
_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  0.030
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            36213
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.755
_exptl_absorpt_correction_T_max  0.860
_exptl_absorpt_correction_T_min  0.715
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.561
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4316
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                4316
_reflns_number_total             4724
_reflns_threshold_expression     F^2^>4.0\s(F^2^)
_cod_data_source_file            ic0493752si20040513_112312_2.cif
_cod_data_source_block           '_Ru2Nap4THF2_Complex2'
_cod_original_cell_volume        1089.9(5)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C26 H22 O5 Ru '
_cod_database_code               4311678