Dichloro[<i>N</i>,<i>N</i>'-ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneiminato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']titanium(IV), [TiCl~2~(C~26~H~34~N~2~O~2~)]
Repo, T.; Klinga, M.; Leskelä, M.; Pietikäinen, P.; Brunow, G.; Acta Crystallographica Section C 52 (1996) 2742–2745; doi:10.1107/S010827019600933X

data_2005668
_publ_section_title
;Dichloro[<i>N</i>,<i>N</i>'-ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneiminato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']titanium(IV),
 [TiCl~2~(C~26~H~34~N~2~O~2~)]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2742
_journal_page_last               2745
_journal_paper_doi               10.1107/S010827019600933X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Ti Cl2 (C26 H34 N2 O2)]'
_chemical_formula_moiety         'C26 H34 Cl2 N2 O2 Ti'
_chemical_formula_sum            'C26 H34 Cl2 N2 O2 Ti'
_chemical_formula_weight         525.35
_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'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.44(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.608(7)
_cell_length_b                   9.782(9)
_cell_length_c                   25.999(7)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      12.56
_cell_measurement_theta_min      7.36
_cell_volume                     2698(3)
_computing_cell_refinement       TEXSAN
_computing_data_collection
'TEXSAN (Molecular Structure Corporation, 1993)'
_computing_data_reduction        TEXSAN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1990)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR92 (Burla et al., 1992)'
_diffrn_ambient_temperature      193(2)
_diffrn_measurement_device       'Rigaku AFC-7S'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.2010
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            4666
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.61
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   '\y scan (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_meas      1.282
_exptl_crystal_density_method    flotation
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.377
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.978
_refine_ls_goodness_of_fit_obs   1.231
_refine_ls_hydrogen_treatment    'H atoms: riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4235
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_restrained_S_obs      1.231
_refine_ls_R_factor_all          0.2051
_refine_ls_R_factor_obs          0.0957
_refine_ls_shift/esd_max         0.009
_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0367P)^2^]
where P = (Fo^2^ + 2Fc^2^)/3
;
_refine_ls_wR_factor_all         0.1591
_refine_ls_wR_factor_obs         0.1226
_reflns_number_observed          1900
_reflns_number_total             4273
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            na1254.cif
_cod_data_source_block           tr19
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2005668