N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species
Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi; Journal of the American Chemical Society 130 (2008) 10508–10509; doi:10.1021/ja804095u

data_4108190
_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_section_title
;
 N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent
 Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the
 Resulting Nitrosovinyl Species
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10508
_journal_page_last               10509
_journal_paper_doi               10.1021/ja804095u
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C19 H24 B N8 O3 Ru, B F4, C H2 Cl2 '
_chemical_formula_sum            'C20 H26 B2 Cl2 F4 N8 O3 Ru'
_chemical_formula_weight         696.07
_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             2008-01-31
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                69.01(2)
_cell_angle_beta                 70.12(2)
_cell_angle_gamma                66.72(2)
_cell_formula_units_Z            2
_cell_length_a                   9.923(4)
_cell_length_b                   12.622(5)
_cell_length_c                   13.472(5)
_cell_measurement_reflns_used    3226
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1407.8(10)
_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    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_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  0.012
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10827
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.812
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_description       block
_exptl_crystal_F_000             700.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.86
_refine_diff_density_min         -1.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5998
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0020Fo^2^ + 9.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1533
_reflns_number_gt                5407
_reflns_number_total             5998
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja804095u-file004.cif
_cod_data_source_block           '__0635c'
_cod_original_cell_volume        1407.9(9)
_cod_original_formula_sum        'C20 H26 B2 Cl2 F4 N8 O3 Ru '
_cod_database_code               4108190