Syntheses and Characterization of Titanium(IV) and Titanium(III) Complexes with (2-Dimethylphosphino)ethane-1-thiolate and (3-Dimethylphosphino)propane-1-thiolate as Ligands
Kazutaka Matsuzaki; Hiroyuki Kawaguchi; Peter Voth; Kyoko Noda; Sumitaka Itoh; Hideo D. Takagi; Kazuo Kashiwabara; Kazuyuki Tatsumi; Inorganic Chemistry 42 (2003) 5320–5329; doi:10.1021/ic034353l

data_4314102
_publ_contact_author_address
;
    Department of Chemistry and Graduate School of Science, Nagoya University
    Nagoya 464-8602, Japan
;
_publ_contact_author_name        ' Kazuo Kasiwabara'
_publ_section_title
;
 Syntheses and Characterization of Titanium(IV) and Titanium(III)
 Complexes with (2-Dimethylphosphino)ethane-1-thiolate and
 (3-Dimethylphosphino)propane-1-thiolate as Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5320
_journal_page_last               5329
_journal_paper_doi               10.1021/ic034353l
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C10 H17 Cl2 P S Ti '
_chemical_formula_sum            'C10 H17 Cl2 P S Ti'
_chemical_formula_weight         319.08
_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
_cell_angle_beta                 103.574(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.216(1)
_cell_length_b                   13.970(3)
_cell_length_c                   13.8178(7)
_cell_measurement_temperature    273.2
_cell_volume                     1354.0(4)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3221
_exptl_absorpt_coefficient_mu    1.265
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.811
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     136
_refine_ls_number_reflns         1820
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00012|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0514
_reflns_number_gt                3221
_reflns_number_total             3221
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034353lsi20030523_102029_9.cif
_cod_data_source_block           CpTiCl2(dmppt)
_cod_original_cell_volume        1354.0(3)
_cod_original_formula_sum        'C10 H17 Cl2 P S Ti '
_cod_database_code               4314102