The pentacoordinate titanium complex [TiCl~2~(NMe~2~)~2~(HNMe~2~)]
Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.; Acta Crystallographica Section C 56 (2000) e541–e541; doi:10.1107/S0108270100014773

data_2011622
_publ_section_title
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 The pentacoordinate titanium complex [TiCl~2~(NMe~2~)~2~(HNMe~2~)]
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e541
_journal_page_last               e541
_journal_paper_doi               10.1107/S0108270100014773
_journal_volume                  56
_journal_year                    2000
_chemical_formula_structural     '[Ti Cl2 (C2 H6 N)2 (C2 H7 N)]'
_chemical_formula_sum            'C6 H19 Cl2 N3 Ti'
_chemical_formula_weight         252.04
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source
'International Tables for Xray Crystallography Vol. IV'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.034(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3083(7)
_cell_length_b                   11.5075(9)
_cell_length_c                   13.360(2)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    225(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1270.2(2)
_computing_cell_refinement       'CAD-4 Operations Manual'
_computing_data_collection
'CAD-4 Operations Manual (Enraf-Nonius, 1977)'
_computing_data_reduction        'PROCESS in MolEN (Fair, 1990)'
_computing_publication_material  'CIF VAX in MolEN'
_computing_structure_refinement  'LSFM in MolEN'
_computing_structure_solution    'Patterson and Fourier (MolEN)'
_diffrn_ambient_temperature      225(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .022
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2809
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        .11
_diffrn_standards_interval_time  50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_T_max  .949
_exptl_absorpt_correction_T_min  .799
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             528
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .05
_refine_diff_density_max         .22
_refine_diff_density_min         -.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.294
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         1992
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .048
_refine_ls_R_factor_gt           .030
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(Fo^2^) + 0.0009Fo^4^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .040
_reflns_number_gt                1992
_reflns_number_total             2486
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            qa0394.cif
_cod_data_source_block           I
_cod_original_cell_volume        1270.3(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H19 Cl2 N3 Ti1'
_cod_database_code               2011622
_cod_database_fobs_code          2011622