{4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2–)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)
Atakol, O.; Kenar, A.; Ercan, F.; Sari, M.; Yaugbasan, R.; Acta Crystallographica Section C 52 (1996) 1881–1884; doi:10.1107/S0108270196003484

data_2005191
_publ_section_title
{4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2--)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1881
_journal_page_last               1884
_journal_paper_doi               10.1107/S0108270196003484
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Ni (C14 H11 N1 O2) (C5 H11 N1)]'
_chemical_formula_moiety         'Ni(C14 H11 O2 N)(C5 H11 N)'
_chemical_formula_sum            'C19 H22 N2 Ni O2'
_chemical_formula_weight         369.11
_chemical_name_systematic
;
{1-[(2-Hydroxy-4-methylphenyl)iminomethyl]phenyl-2-olato-O,O',N}-
piperidinenickel(II)
;
_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           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 110.6(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.664(3)
_cell_length_b                   14.088(5)
_cell_length_c                   12.494(2)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    296
_cell_measurement_theta_max      13
_cell_measurement_theta_min      10
_cell_volume                     1757.0(14)
_computing_data_collection       'CAD-4-Express Software (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965) in MolEN'
_computing_publication_material  MolEN
_computing_structure_refinement  'MolEN LSFM'
_computing_structure_solution    'MolEN SIMPEL'
_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  0.01
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3497
_diffrn_reflns_theta_max         25.3
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.12
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.978
_exptl_absorpt_correction_type   'empirical via \y scans (MolEN; Fair, 1990)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_meas      1.358
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         .63
_refine_diff_density_min         -.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.54
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     217
_refine_ls_number_reflns         1414
_refine_ls_R_factor_obs          .059
_refine_ls_shift/esd_max         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(F)^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .060
_reflns_number_observed          1414
_reflns_number_total             3173
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ab1328.cif
_cod_data_source_block           rahmi11
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s(F)^2^' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s(F)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1757(1)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C19 H22 N2 O2 Ni'
_cod_database_code               2005191