Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(μ-OEt)2} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2·M(solv)2] (M = Li, Na, K; solv = THF, DME)
Zhang, Dao; Organometallics 26 (2007) 4072–; doi:10.1021/om700298f

data_4073383
_publ_section_title
;
 Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]2(\m-OEt)2}
 Assisted by Carbon&#x2212;Oxygen Bond Cleavage and
 Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)2&#x00B7;M(solv)2]
 (M = Li, Na, K; solv = THF, DME)
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4072
_journal_paper_doi               10.1021/om700298f
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C61 H90 Li O4 Ti '
_chemical_formula_sum            'C61 H90 Li O4 Ti'
_chemical_formula_weight         942.22
_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                93.137(8)
_cell_angle_beta                 92.929(9)
_cell_angle_gamma                100.721(11)
_cell_formula_units_Z            2
_cell_length_a                   11.058(5)
_cell_length_b                   11.058(5)
_cell_length_c                   23.401(11)
_cell_measurement_reflns_used    5662
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2802(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9048
_diffrn_measured_fraction_theta_max 0.9065
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            41976
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.196
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellowgreen
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1026.00
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.80
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     602
_refine_ls_number_reflns         11666
_refine_ls_R_factor_gt           0.0860
_refine_ls_shift/su_max          0.0040
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0034Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2680
_reflns_number_gt                4886
_reflns_number_total             11667
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om700298f-file004.cif
_cod_data_source_block           '__TiLi(BPtBuMe)2(THF)2-1.0'
_cod_original_cell_volume        2801.9(22)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C61 H90 Li O4 Ti '
_cod_database_code               4073383