A Family of Diruthenium Compounds with Dianionic Tridentate Ligands of N-(2-Pyridyl)-2-oxy-5-R-benzylaminate (R = H, Me, Cl, Br, NO2): Isolation, Structure Determination, and Electrochemistry
Hitoshi Miyasaka; Toru Izawa; Ken-ichi Sugiura; Masahiro Yamashita; Inorganic Chemistry 42 (2003) 7683–7690; doi:10.1021/ic034625k

data_4312491
_publ_section_title
;
 A Family of Diruthenium Compounds with Dianionic Tridentate Ligands of
 N-(2-Pyridyl)-2-oxy-5-R-benzylaminate (R = H, Me, Cl, Br, NO2):
 Isolation, Structure Determination, and Electrochemistry
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7683
_journal_page_last               7690
_journal_paper_doi               10.1021/ic034625k
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C54 H60 K N6 O16 Ru2 '
_chemical_formula_sum            'C54 H60 K N6 O16 Ru2'
_chemical_formula_weight         1290.34
_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                112.59(2)
_cell_angle_beta                 96.74(2)
_cell_angle_gamma                107.81(1)
_cell_formula_units_Z            1
_cell_length_a                   8.774(4)
_cell_length_b                   12.977(6)
_cell_length_c                   14.017(4)
_cell_measurement_reflns_used    9415
_cell_measurement_temperature    103.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     1351.9(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12319
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_T_max  0.945
_exptl_absorpt_correction_T_min  0.418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.92
_refine_diff_density_min         -1.17
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     358
_refine_ls_number_reflns         4958
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                4958
_reflns_number_total             6106
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic034625ksi20030912_113811.cif
_cod_data_source_block           miya5_
_cod_original_cell_volume        1351.8(10)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C54 H60 K N6 O16 Ru2 '
_cod_database_code               4312491