Structure and Photochemical Properties of (μ-Alkoxo)bis(μ-carboxylato)diruthenium Complexes with Naphthylacetate Ligands
Nakai, Misaki; Funabiki, Takuzo; Ohtsuki, Chikara; Harada, Masafumi; Ichimura, Akio; Tanaka, Rika; Kinoshita, Isamu; Mikuriya, Masahiro; Benten, Hiroaki; Ohkita, Hideo; Ito, Shinzaburo; Obata, Makoto; Yano, Shigenobu; Inorganic Chemistry 45 (2006) 3048–3056; doi:10.1021/ic051582u

data_4331816
_publ_section_title
;
 Structure and Photochemical Properties of
 (\m-Alkoxo)bis(\m-carboxylato)diruthenium Complexes with Naphthylacetate
 Ligands
;
_journal_issue                   7
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3048
_journal_page_last               3056
_journal_paper_doi               10.1021/ic051582u
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'K + , C35 H31 N2 O13 Ru2 - , C H4 O '
_chemical_formula_sum            'C36 H35 K N2 O14 Ru2'
_chemical_formula_weight         960.92
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.6200(5)
_cell_length_b                   20.270(1)
_cell_length_c                   35.530(2)
_cell_measurement_reflns_used    15932
_cell_measurement_temperature    193.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     7648.5(7)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9912
_diffrn_measured_fraction_theta_max 0.9912
_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  0.054
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            59400
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.969
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             3872.00
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.96
_refine_diff_density_min         -0.85
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     501
_refine_ls_number_reflns         8689
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          -0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0509P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                7020
_reflns_number_total             8689
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic051582usup1.cif
_cod_data_source_block           Ru-2-Naph
_cod_original_sg_symbol_H-M      'P b c a      '
_cod_original_formula_sum        'C36 H35 K N2 O14 Ru2 '
_cod_database_code               4331816