Bis[<i>N</i>-(2,6-dimethylphenyl)aminoglyoximato-<i>N</i>,<i>N</i>']nickel(II)
Ülkü, D.; Ercan, F.; Macit, M.; Gülce, A.; Acta Crystallographica Section C 52 (1996) 2680–2682; doi:10.1107/S0108270196009407

data_2005661
_publ_section_title
Bis[<i>N</i>-(2,6-dimethylphenyl)aminoglyoximato-<i>N</i>,<i>N</i>']nickel(II)
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2680
_journal_page_last               2682
_journal_paper_doi               10.1107/S0108270196009407
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'Ni(C10 H12 O2 N3)~2~'
_chemical_formula_sum            'C20 H24 N6 Ni O4'
_chemical_formula_weight         471.15
_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                110.416(5)
_cell_angle_beta                 92.067(6)
_cell_angle_gamma                92.165(6)
_cell_formula_units_Z            1
_cell_length_a                   7.9572(7)
_cell_length_b                   8.2383(4)
_cell_length_c                   8.5846(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      18
_cell_measurement_theta_min      11
_cell_volume                     526.30(7)
_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  0.016
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2283
_diffrn_reflns_theta_max         26.3
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.96
_exptl_absorpt_correction_T_max  0.88
_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    1.486
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.13
_refine_diff_density_max         .61
_refine_diff_density_min         -.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.25
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2150
_refine_ls_R_factor_obs          .029
_refine_ls_shift/esd_max         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;
If F >= 197.30  then w = [197.30/F]^2^,
otherwise w = 1.0
;
_refine_ls_wR_factor_obs         .033
_reflns_number_observed          2150
_reflns_number_total             2196
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1275.cif
_cod_data_source_block           oxime
_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        526.32(4)
_cod_database_code               2005661