Protonation of a Ruthenium Vinylidene Complex with a NO Ligand Leading to Ruthenium Vinyl Complexes
Arikawa, Yasuhiro; Yamasaki, Hayato; Yamaguchi, Mamoru; Umakoshi, Keisuke; Onishi, Masayoshi; Organometallics 28 (2009) 5587–; doi:10.1021/om900576h

data_4070027
_publ_section_title
;
 Protonation of a Ruthenium Vinylidene Complex with a NO Ligand Leading to
 Ruthenium Vinyl Complexes
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5587
_journal_paper_doi               10.1021/om900576h
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C47 H42 B Cl F4 N2 O P2 Ru '
_chemical_formula_sum            'C47 H42 B Cl F4 N2 O P2 Ru'
_chemical_formula_weight         936.14
_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                90.8268(14)
_cell_angle_beta                 111.2848(17)
_cell_angle_gamma                109.0646(17)
_cell_formula_units_Z            2
_cell_length_a                   12.1440(9)
_cell_length_b                   13.7565(8)
_cell_length_c                   15.2241(10)
_cell_measurement_reflns_used    4559
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2214.2(3)
_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 0.925
_diffrn_measured_fraction_theta_max 0.925
_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  0.022
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16886
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             956.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.34
_refine_diff_density_min         -1.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     536
_refine_ls_number_reflns         9416
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 8.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                7924
_reflns_number_total             9416
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om900576h_si_003.cif
_cod_data_source_block           '__0742a'
_cod_original_formula_sum        'C47 H42 B Cl F4 N2 O P2 Ru '
_cod_database_code               4070027