Multiple C–H Bond Cleavage of the Alkyl Group in (2,6-Dialkylphenoxo)ruthenium(II) Complexes
Hirano, Masafumi; Yanagisawa, Yasuto; Mulyadi, Endin; Komine, Nobuyuki; Komiya, Sanshiro; Organometallics 33 (2014) 1235–; doi:10.1021/om5000248

data_4082674
_publ_section_title
;
 Multiple C--H Bond Cleavage of the Alkyl Group in
 (2,6-Dialkylphenoxo)ruthenium(II) Complexes
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1235
_journal_paper_doi               10.1021/om5000248
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C21.50 H47.50 O P4 Ru'
_chemical_formula_sum            'C21.5 H47.5 O P4 Ru'
_chemical_formula_weight         547.08
_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                90.462(4)
_cell_angle_beta                 109.401(5)
_cell_angle_gamma                92.203(4)
_cell_formula_units_Z            2
_cell_length_a                   10.088(4)
_cell_length_b                   11.551(4)
_cell_length_c                   13.393(5)
_cell_measurement_reflns_used    4344
_cell_measurement_temperature    199
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.08
_cell_volume                     1470.6(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_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    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      199
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0194
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11787
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             577.00
_exptl_crystal_size_max          0.431
_exptl_crystal_size_mid          0.177
_exptl_crystal_size_min          0.032
_refine_diff_density_max         1.820
_refine_diff_density_min         -0.900
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     248
_refine_ls_number_reflns         6615
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0546
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0939P)^2^+3.1861P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1760
_reflns_number_gt                5472
_reflns_number_total             6615
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om5000248_si_002.cif
_cod_data_source_block           '_Compound_2'
_cod_original_cell_volume        1470.6(9)
_cod_original_formula_sum        'C21.50 H47.50 O P4 Ru'
_cod_database_code               4082674