Zinc(II) complexes of bidentate Schiff base ligands containing methoxyphenyl and nitrophenyl groups
Tatar, Leyla; Ülkü, Dinçer; Atakol, Orhan; Acta Crystallographica Section C 55 (1999) 508–510; doi:10.1107/S0108270198015406

data_2008428
_publ_section_title
;
 Zinc(II) complexes of bidentate Schiff base ligands containing
 methoxyphenyl and nitrophenyl groups
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              508
_journal_page_last               510
_journal_paper_doi               10.1107/S0108270198015406
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Zn (C14 H12 N O2)2]'
_chemical_formula_moiety         'C28 H24 N2 O4 Zn'
_chemical_formula_sum            'C28 H24 N2 O4 Zn'
_chemical_formula_weight         517.885
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                84.898(2)
_cell_angle_beta                 87.619(3)
_cell_angle_gamma                71.594(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0778(11)
_cell_length_b                   11.4052(13)
_cell_length_c                   12.0973(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      20.85
_cell_measurement_theta_min      11.90
_cell_volume                     1183.6(2)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  MolEN
_computing_structure_refinement  MolEN
_computing_structure_solution    MolEN
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.007
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4486
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        0.002
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.097
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.736
_exptl_absorpt_correction_type   'empirical via \y scan (Fair, 1990)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.4531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.493
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3829
_refine_ls_R_factor_obs          0.0279
_refine_ls_shift/esd_max         0.0005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 1/[\sF^2^ + (0.02F)^2^ + 0.54]
except w = 0 if F^2^ < cutoff \\times \sF^2^ (cutoff = 3.0)
;
_refine_ls_wR_factor_obs         0.0371
_reflns_number_observed          3829
_reflns_number_total             4252
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            sk1243.cif
_cod_data_source_block           2
_cod_original_formula_sum        'C28 H24 N2 O4 Zn '
_cod_database_code               2008428