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_2008427
_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 (C13 H9 N2 O3)2]'
_chemical_formula_moiety         'C26 H18 N4 O6 Zn'
_chemical_formula_sum            'C26 H18 N4 O6 Zn'
_chemical_formula_weight         547.827
_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                70.432(8)
_cell_angle_beta                 77.619(7)
_cell_angle_gamma                85.302(9)
_cell_formula_units_Z            2
_cell_length_a                   8.5966(7)
_cell_length_b                   11.4966(14)
_cell_length_c                   12.4867(11)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.07
_cell_measurement_theta_min      11.81
_cell_volume                     1135.7(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  0.010
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4704
_diffrn_reflns_theta_max         25.90
_diffrn_standards_decay_%        0.023
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   'empirical via \y scan (Fair, 1990)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.6024
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     334
_refine_ls_number_reflns         3695
_refine_ls_R_factor_obs          0.0412
_refine_ls_shift/esd_max         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
w = 1/[\sF^2^ + (0.02F)^2^ + 1.25],
except w = 0 if F^2^ < cutoff \\times \sF^2^ (cutoff = 3.0)
;
_refine_ls_wR_factor_obs         0.0517
_reflns_number_observed          3695
_reflns_number_total             4397
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            sk1243.cif
_cod_data_source_block           1
_cod_database_code               2008427