Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling
Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi; Organometallics 32 (2013) 4353–; doi:10.1021/om4004913

data_4081153
_publ_section_title
;
 Reactivities of Indenylruthenium Complex toward Internal Alkynes:
 Formation of Disubstituted Vinylidene Complexes and Indenyl--Alkyne
 Coupling
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4353
_journal_paper_doi               10.1021/om4004913
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C82 H57 B F24 P2 Ru'
_chemical_formula_sum            'C82 H57 B F24 P2 Ru'
_chemical_formula_weight         1672.14
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                88.817(4)
_cell_angle_beta                 89.534(4)
_cell_angle_gamma                88.275(4)
_cell_formula_units_Z            2
_cell_length_a                   13.856(3)
_cell_length_b                   14.739(3)
_cell_length_c                   18.294(3)
_cell_measurement_reflns_used    8996
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     3733.5(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28861
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.358
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.866
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1688.00
_exptl_crystal_size_max          0.323
_exptl_crystal_size_mid          0.299
_exptl_crystal_size_min          0.144
_refine_diff_density_max         1.290
_refine_diff_density_min         -0.920
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         16527
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0672P)^2^+4.5292P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1748
_reflns_number_gt                12357
_reflns_number_total             16527
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om4004913_si_002.cif
_cod_data_source_block           2b.C6H6
_cod_original_cell_volume        3733.4(11)
_cod_database_code               4081153