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_4110183
_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         'C22 H25 B2 Cl N16 O2 Ru2, C7 H8 '
_chemical_formula_sum            'C29 H33 B2 Cl N16 O2 Ru2'
_chemical_formula_weight         896.90
_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                 106.9244(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.198(2)
_cell_length_b                   14.5225(19)
_cell_length_c                   16.624(2)
_cell_measurement_reflns_used    8113
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3741.2(8)
_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 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.017
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28339
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.931
_exptl_absorpt_correction_T_max  0.756
_exptl_absorpt_correction_T_min  0.676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_description       needle
_exptl_crystal_F_000             1800.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.71
_refine_diff_density_min         -0.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     508
_refine_ls_number_reflns         8323
_refine_ls_R_factor_gt           0.0354
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0014Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1053
_reflns_number_gt                7133
_reflns_number_total             8323
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0763504si20070823_100305.cif
_cod_data_source_block           '__0604a'
_cod_original_cell_volume        3741.2(9)
_cod_original_formula_sum        'C29 H33 B2 Cl N16 O2 Ru2 '
_cod_database_code               4110183