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_4070024
_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         'C45 H39 Cl2 N O P2 Ru '
_chemical_formula_sum            'C45 H39 Cl2 N O P2 Ru'
_chemical_formula_weight         843.73
_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                99.912(4)
_cell_angle_beta                 100.789(4)
_cell_angle_gamma                94.071(4)
_cell_formula_units_Z            2
_cell_length_a                   10.3642(10)
_cell_length_b                   10.4076(10)
_cell_length_c                   18.965(2)
_cell_measurement_reflns_used    2865
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1968.2(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 0.944
_diffrn_measured_fraction_theta_max 0.944
_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  0.040
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15383
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.97
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     508
_refine_ls_number_reflns         8539
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0002Fo^2^ + 1.3000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1128
_reflns_number_gt                5802
_reflns_number_total             8539
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om900576h_si_003.cif
_cod_data_source_block           '__0700a'
_cod_original_cell_volume        1968.3(3)
_cod_original_formula_sum        'C45 H39 Cl2 N O P2 Ru '
_cod_database_code               4070024