Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)
Elerman, Y.; Kabak, M.; Tahir, M. N.; Acta Crystallographica Section C 52 (1996) 2434–2436; doi:10.1107/S0108270196007111

data_2005480
_publ_section_title
;
 Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2434
_journal_page_last               2436
_journal_paper_doi               10.1107/S0108270196007111
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Co (C10 H12 N O)2]'
_chemical_formula_moiety         'C20 H24 Co N2 O2'
_chemical_formula_sum            'C20 H24 Co N2 O2'
_chemical_formula_weight         383.36
_chemical_name_systematic
;
Bis[N-2-propylsalicylideneamino]cobalt(II)
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   13.2001(12)
_cell_length_b                   19.4239(15)
_cell_length_c                   15.1868(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      18.1
_cell_measurement_theta_min      10.1
_cell_volume                     3893.9(6)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1993)'
_computing_data_reduction        'CAD-4 Software'
_computing_structure_refinement  'MolEN (Fair, 1990)'
_computing_structure_solution    'SIMPEL (Perchar & Schenk, 1987)'
_diffrn_ambient_temperature      297
_diffrn_measurement_device       'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3234
_diffrn_reflns_theta_max         26.3
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.89
_exptl_absorpt_correction_T_max  0.79
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type
;empirical, \y-scan (Kopfmann & Huber, 1968; North, Phillips and Mathews,
 1968)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         .23
_refine_diff_density_min         -.14
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.27
_refine_ls_hydrogen_treatment    'H atoms riding with fixed U~iso~ = 0.1\%A^2^'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2156
_refine_ls_R_factor_obs          .035
_refine_ls_shift/esd_max         .003
_refine_ls_shift/esd_mean        .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .040
_reflns_number_observed          2156
_reflns_number_total             3234
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            cf1056.cif
_cod_data_source_block           a
_cod_depositor_comments
;
 Changing the space group from 'P 2ac 2ab' to '-P 2ac 2ab' after consulting
 the original publication. All related space group information was
 changed accordingly.

 Antanas Vaitkus,
 2017-07-07

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' 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 

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3893.9(4)
_cod_database_code               2005480