Formation and Structure of an (Iminium ion)ruthenium Complex and Reaction of the Iminium Ion Moiety with Alcohols
Fukui, Sohei; Suzuki, Noriyuki; Wada, Tohru; Tanaka, Koji; Nagao, Hirotaka; Organometallics 29 (2010) 1534–; doi:10.1021/om100161r

data_4065848
_publ_section_title
;
 Formation and Structure of an (Iminium ion)ruthenium Complex and Reaction
 of the Iminium Ion Moiety with Alcohols
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1534
_journal_paper_doi               10.1021/om100161r
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C16 H21 Cl3 N3 Ru '
_chemical_formula_sum            'C16 H21 Cl3 N3 Ru'
_chemical_formula_weight         462.79
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.2047(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.7766(2)
_cell_length_b                   14.6864(4)
_cell_length_c                   15.2361(5)
_cell_measurement_reflns_used    4963
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1712.59(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13172
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.385
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             932.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3918
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0266P)^2^+3.2297P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0618
_reflns_number_gt                3753
_reflns_number_total             3918
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100161r_si_002.cif
_cod_data_source_block           '__fac(Cl,_Cl,_Cl)-[RuCl3(ebpea)]'
_cod_original_formula_sum        'C16 H21 Cl3 N3 Ru '
_cod_database_code               4065848