Dichlorobis[2-(<i>o</i>-tolyliminiomethyl)phenolato-<i>O</i>]zinc(II)
Ülkü, Dinçer; Arıcı, Cengiz; Tahir, M. Nawaz; Atakol, Orhan; Acta Crystallographica Section C 56 (2000) 1298–1299; doi:10.1107/S0108270100009008

data_2011567
_publ_section_title
;
 Dichlorobis[2-(<i>o</i>-tolyliminiomethyl)phenolato-<i>O</i>]zinc(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1298
_journal_page_last               1299
_journal_paper_doi               10.1107/S0108270100009008
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[ZnCl2 (C14 H13 NO )2 ]'
_chemical_formula_moiety         'C28 H26 Cl2 N2 O2 Zn'
_chemical_formula_sum            'C28 H26 Cl2 N2 O2 Zn'
_chemical_formula_weight         558.808
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 104.232(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0495(11)
_cell_length_b                   10.5240(13)
_cell_length_c                   15.6324(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      20.98
_cell_measurement_theta_min      11.80
_cell_volume                     2559.4(4)
_computing_data_collection       'CAD4-EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'PLATON99 (Spek, 1999)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM in MolEN'
_computing_structure_solution    'Sir in MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .010
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            2565
_diffrn_reflns_theta_max         25.26
_diffrn_standards_decay_%        1.792
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.197
_exptl_absorpt_correction_T_max  .836
_exptl_absorpt_correction_T_min  .694
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            'yellow '
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .15
_refine_diff_density_max         .269
_refine_diff_density_min         -.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     159
_refine_ls_number_reflns         1929
_refine_ls_R_factor_gt           .028
_refine_ls_shift/su_max          .00025
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;weight:
w = 1/[\sF^2^ + (0.02F)^2^ + 0.4]
except w = 0 if F^2^ < cutoff.\sF^2^, where cutoff is 3.0
;
_refine_ls_wR_factor_ref         .037
_reflns_number_gt                1929
_reflns_number_total             2467
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            sk1401.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2011567
_cod_database_fobs_code          2011567