Unprecedented Formation of μ-Vinylidene Complexes from Phospharuthenocene and Acyl Chloride via Activation of the CO Double Bond
Ogasawara, Masamichi; Sakamoto, Takeshi; Ito, Azumi; Ge, Yonghui; Nakajima, Kiyohiko; Takahashi, Tamotsu; Hayashi, Tamio; Organometallics 26 (2007) 6698–; doi:10.1021/om701063k

data_4074101
_publ_section_title
;
 Unprecedented Formation of \m-Vinylidene Complexes from
 Phospharuthenocene and Acyl Chloride via Activation of the C&#xE5FB;O
 Double Bond
;
_journal_issue                   27
_journal_name_full               Organometallics
_journal_page_first              6698
_journal_paper_doi               10.1021/om701063k
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C34 H50 O P2 Ru '
_chemical_formula_sum            'C34 H50 O P2 Ru'
_chemical_formula_weight         637.79
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 109.769(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.178(3)
_cell_length_b                   20.115(5)
_cell_length_c                   13.900(5)
_cell_measurement_reflns_used    24758
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3204.3(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30609
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.614
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.18
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     399
_refine_ls_number_reflns         7329
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.0061
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0030Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1548
_reflns_number_gt                5717
_reflns_number_total             7329
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om701063k-file003.cif
_cod_data_source_block           '_tt39'
_cod_original_cell_volume        3204.1(15)
_cod_original_formula_sum        'C34 H50 O P2 Ru '
_cod_database_code               4074101