(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2–)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)
Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.; Acta Crystallographica Section C 52 (1996) 2682–2684; doi:10.1107/S010827019600964X

data_2005595
_publ_section_title
(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2--)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2682
_journal_page_last               2684
_journal_paper_doi               10.1107/S010827019600964X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Ni (C14 H11 N O2) (C4 H11 N)]'
_chemical_formula_moiety         'Ni(C14 H11 O2 N)(C4 H10 N)'
_chemical_formula_sum            'C18 H22 N2 Ni O2'
_chemical_formula_weight         357.10
_chemical_name_systematic
;
N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   9.2943(11)
_cell_length_b                   11.6858(10)
_cell_length_c                   31.698(2)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    296
_cell_measurement_theta_max      18
_cell_measurement_theta_min      10
_cell_volume                     3442.8(5)
_computing_data_collection       'CAD-4 Express (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'MolEN version of ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM MolEN'
_computing_structure_solution    'SIMPEL MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3975
_diffrn_reflns_theta_max         26.3
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.14
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type
;
empirical via \y scans (North, Phillips & Mathews, 1968)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.38
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_refine_diff_density_max         .50
_refine_diff_density_min         -.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.41
_refine_ls_number_parameters     208
_refine_ls_number_reflns         1706
_refine_ls_R_factor_obs          .065
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
If F > 75.34, w = (75.34/F)^2^;
if F < 75.34, w = 1.0
;
_refine_ls_wR_factor_obs         .085
_reflns_number_observed          1706
_reflns_number_total             3493
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            cf1069.cif
_cod_data_source_block           rahmi2
_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_cell_volume        3445.2(6)
_cod_database_code               2005595