Trimerization of Ethylene to 1-Hexene with Titanium Complexes Bearing Phenoxy−Imine Ligands with Pendant Donors Combined with MAO
Suzuki, Yasuhiko; Kinoshita, Shinsuke; Shibahara, Atsushi; Ishii, Seiichi; Kawamura, Kazumori; Inoue, Yoshihisa; Fujita, Terunori; Organometallics 29 (2010) 2394–; doi:10.1021/om1003368

data_4066176
_publ_section_title
;
 Trimerization of Ethylene to 1-Hexene with Titanium Complexes Bearing
 Phenoxy&#x2212;Imine Ligands with Pendant Donors Combined with MAO
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2394
_journal_paper_doi               10.1021/om1003368
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C33 H37 Cl3 N O3 Ti '
_chemical_formula_sum            'C33 H37 Cl3 N O3 Ti'
_chemical_formula_weight         649.92
_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'
_cell_angle_alpha                97.563(2)
_cell_angle_beta                 100.670(3)
_cell_angle_gamma                115.578(3)
_cell_formula_units_Z            4
_cell_length_a                   12.581(3)
_cell_length_b                   14.559(3)
_cell_length_c                   18.618(4)
_cell_measurement_reflns_used    9877
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      1.8
_cell_volume                     2935.5(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 4.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.11
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.689
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            48747
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         31.38
_exptl_absorpt_coefficient_mu    0.601
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1356.00
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         5.20
_refine_diff_density_min         -2.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     712
_refine_ls_number_reflns         13332
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.0090
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1061P)^2^+8.1380P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1928
_reflns_number_gt                11410
_reflns_number_total             13332
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om1003368_si_002.cif
_cod_data_source_block           '__tem09001-2'
_cod_original_cell_volume        2935.2(11)
_cod_original_formula_sum        'C33 H37 Cl3 N O3 Ti '
_cod_database_code               4066176