(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile
Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.; Acta Crystallographica Section C 52 (1996) 2271–2272; doi:10.1107/S0108270196004453

data_2005424
_publ_section_title
(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2271
_journal_page_last               2272
_journal_paper_doi               10.1107/S0108270196004453
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          'C10 H14 N6'
_chemical_formula_moiety         'C10 H14 N6'
_chemical_formula_sum            'C10 H14 N6'
_chemical_formula_weight         218.263
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 112.39(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.671(1)
_cell_length_b                   20.414(2)
_cell_length_c                   8.326(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.18
_cell_measurement_theta_min      10.68
_cell_volume                     1205.5(4)
_computing_data_collection       'CAD-4 EXPRESS Software (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'MolEN ORTEP (Johnson, 1965)'
_computing_publication_material  MolEN
_computing_structure_refinement  'MolEN LSFM'
_computing_structure_solution    'MolEN SIR'
_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  0.015
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            2711
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        4.76
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.967
_exptl_absorpt_correction_type   'empirical via \y scans (MolEN; Fair, 1990)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.76
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1098
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.00014
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.043
_reflns_number_observed          1098
_reflns_number_total             2343
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            sk1005.cif
_cod_data_source_block           Diaza
_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        1205.6(5)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2005424