Titanium and ruthenium binaphthyl Schiff base complexes as catalysts for asymmetric trimethylsilylcyanation of aldehydes
Zhou, Xiang-Ge; Huang, Jie-Sheng; Ko, Po-Hung; Cheung, Kung-Kai; Che, Chi-Ming; Journal of the Chemical Society, Dalton Transactions  (1999) 3303–; doi:10.1039/a904330f

data_7027581
_publ_contact_author
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    ENTER NAME
 ENTER ADDRESS
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_publ_section_title
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 Titanium and ruthenium binaphthyl Schiff base complexes as catalysts for
 asymmetric trimethylsilylcyanation of aldehydes
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3303
_journal_paper_doi               10.1039/a904330f
_journal_year                    1999
_chemical_formula_moiety         'C34 H16 Cl5 N3 O3 Ru . CH2Cl2'
_chemical_formula_sum            'C35 H20 Cl7 N3 O3 Ru'
_chemical_formula_weight         879.80
_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'
_audit_creation_date             'Wed Apr 21 10:36:09 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                81.70(3)
_cell_angle_beta                 72.34(3)
_cell_angle_gamma                83.89(3)
_cell_formula_units_Z            2
_cell_length_a                   11.555(5)
_cell_length_b                   12.087(4)
_cell_length_c                   13.347(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      21.5
_cell_volume                     1753.8(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.03913
_diffrn_orient_matrix_UB_12      -0.07653
_diffrn_orient_matrix_UB_13      -0.01300
_diffrn_orient_matrix_UB_21      0.07902
_diffrn_orient_matrix_UB_22      0.02479
_diffrn_orient_matrix_UB_23      0.00203
_diffrn_orient_matrix_UB_31      0.02257
_diffrn_orient_matrix_UB_32      0.02344
_diffrn_orient_matrix_UB_33      -0.07809
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.23
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4840
_diffrn_reflns_theta_max         22.51
_diffrn_standards_decay_%        -2.83
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.021
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             876.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.87
_refine_diff_density_min         -0.81
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.845
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         3085
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0397
_refine_ls_shift/esd_max         1.5350
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0498
_reflns_number_observed          3085
_reflns_number_total             4574
_reflns_observed_criterion       3.00
_cod_data_source_file            904330Fsup1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1753(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C35 H20 Cl7 N3 O3 Ru '
_cod_database_code               7027581