[2,3-Bis(salicylideneamino-<i>O</i>,<i>N</i>)pyridinato]nickel(II)
Ülkü, Dinçer; Tahir, M. Nawaz; Nazır, Hasan; Yilmaz, Hamza; Acta Crystallographica Section C 54 (1998) 725–726; doi:10.1107/S0108270197019379

data_2007377
_publ_section_title
;
 [2,3-Bis(salicylideneamino-<i>O</i>,<i>N</i>)pyridinato]nickel(II)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              725
_journal_page_last               726
_journal_paper_doi               10.1107/S0108270197019379
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C19 H13 N3 Ni O2'
_chemical_formula_sum            'C19 H13 N3 Ni O2'
_chemical_formula_weight         374.044
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 105.566(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9539(12)
_cell_length_b                   8.1317(11)
_cell_length_c                   17.9391(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      20.73
_cell_measurement_theta_min      11.69
_cell_volume                     1539.3(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            3759
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         2.74
_diffrn_standards_decay_%        0.16
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.281
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.88
_refine_ls_hydrogen_treatment    'H atoms riding (see text)'
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2368
_refine_ls_R_factor_obs          .052
_refine_ls_shift/esd_max         0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + (0.02F)^2^ + 1.0]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .056
_reflns_number_observed          2368
_reflns_number_total             3613
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            sk1106.cif
_cod_data_source_block           hasohnani
_cod_depositor_comments
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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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + (0.02F)^2^ +
1.0]' 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) +
(0.02F)^2^ + 1.0]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2007377