Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol
Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao; Organometallics 27 (2008) 2176–; doi:10.1021/om800285n

data_4071638
_publ_section_title
;
 Isolation and Interconversion of ProticN-Heterocyclic Carbene and
 Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation
 ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2176
_journal_paper_doi               10.1021/om800285n
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C23 H25 F3 N4 O5 Ru S '
_chemical_formula_sum            'C23 H25 F3 N4 O5 Ru S'
_chemical_formula_weight         627.60
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 120.255(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   16.616(10)
_cell_length_b                   11.807(7)
_cell_length_c                   15.049(10)
_cell_measurement_reflns_used    10255
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.5
_cell_volume                     2550(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    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.062
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22574
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         31.46
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.859
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1272.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.86
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     357
_refine_ls_number_reflns         5790
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0009Fo^2^ + 1.1000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1460
_reflns_number_gt                4454
_reflns_number_total             5792
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om800285n-file004.cif
_cod_data_source_block           '__3.H2O'
_cod_original_formula_sum        'C23 H25 F3 N4 O5 Ru S '
_cod_database_code               4071638