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_4065847
_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 H20 Cl3 N3 Ru '
_chemical_formula_sum            'C16 H20 Cl3 N3 Ru'
_chemical_formula_weight         461.78
_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                 104.439(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.5561(5)
_cell_length_b                   15.3044(9)
_cell_length_c                   15.2179(10)
_cell_measurement_reflns_used    4511
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1704.24(19)
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.027
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12924
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.391
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             928.00
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.187
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3885
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0000P)^2^+9.0034P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0905
_reflns_number_gt                3708
_reflns_number_total             3885
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100161r_si_002.cif
_cod_data_source_block
'__mer(Cl,_Cl,_Cl)-[RuCl3(&#x0083;&#x00C5;2-NCHCH2py(C2H4py)C2H5)]'
_cod_original_formula_sum        'C16 H20 Cl3 N3 Ru '
_cod_database_code               4065847