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_4081155
_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         'C76 H51 B F24 P2 Ru'
_chemical_formula_sum            'C76 H51 B F24 P2 Ru'
_chemical_formula_weight         1594.03
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.421(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.581(3)
_cell_length_b                   20.354(4)
_cell_length_c                   24.761(5)
_cell_measurement_reflns_used    18785
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.00
_cell_volume                     6709(2)
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0836
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            50847
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.394
_exptl_absorpt_correction_T_max  0.914
_exptl_absorpt_correction_T_min  0.875
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3208.00
_exptl_crystal_size_max          0.454
_exptl_crystal_size_mid          0.247
_exptl_crystal_size_min          0.228
_refine_diff_density_max         1.870
_refine_diff_density_min         -1.550
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     937
_refine_ls_number_reflns         15287
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0916P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1921
_reflns_number_gt                10890
_reflns_number_total             15287
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om4004913_si_002.cif
_cod_data_source_block           3b
_cod_original_cell_volume        6709(3)
_cod_database_code               4081155