Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase
Yasuhiro Arikawa; Taiki Asayama; Yusuke Moriguchi; Shoko Agari; Masayoshi Onishi; Journal of the American Chemical Society 129 (2007) 14160–14161; doi:10.1021/ja0763504

data_4110185
_publ_contact_author_address
;
    Department of Applied Chemistry
    Faculty of Engineering
    Nagasaki University
    Nagasaki 852-8521
    Japan
;
_publ_contact_author_email       onishi@nagasaki-u.ac.jp
_publ_contact_author_fax         +81-95-819-2684
_publ_contact_author_name        'Masayoshi Onishi'
_publ_contact_author_phone       +81-95-819-2671
_publ_section_title
;
 Reversible N-N Coupling of NO Ligands on Dinuclear Ruthenium Complexes
 and Subsequent N2O Evolution: Relevance to Nitric Oxide Reductase
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14160
_journal_page_last               14161
_journal_paper_doi               10.1021/ja0763504
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         'C21 H22 B2 Br Cl N14 O Ru2, C2 H2 Cl6 '
_chemical_formula_sum            'C23 H24 B2 Br Cl7 N14 O Ru2'
_chemical_formula_weight         1064.37
_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             2007-04-23
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.9920(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.8308(11)
_cell_length_b                   16.2176(9)
_cell_length_c                   16.1017(11)
_cell_measurement_reflns_used    7272
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     3931.8(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            29076
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.305
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_description       block
_exptl_crystal_F_000             2080.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.24
_refine_diff_density_min         -1.04
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     489
_refine_ls_number_reflns         8733
_refine_ls_R_factor_gt           0.0628
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0041Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1989
_reflns_number_gt                6898
_reflns_number_total             8733
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0763504si20070823_100346.cif
_cod_data_source_block           '__0674b'
_cod_original_formula_sum        'C23 H24 B2 Br Cl7 N14 O Ru2 '
_cod_database_code               4110185