1,2-Bis(4-pyridyl)ethane
Ide, S.; Karacan, N.; Tufan, Y.; Acta Crystallographica Section C 51 (1995) 2304–2305; doi:10.1107/S0108270195005221

data_2004163
_publ_section_title
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 1,2-Bis(4-pyridyl)ethane
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2304
_journal_page_last               2305
_journal_paper_doi               10.1107/S0108270195005221
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C12 H12 N2'
_chemical_formula_weight         184.2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'IntTabIV and Cromer & Mann (1968)'
_cell_angle_alpha                90
_cell_angle_beta                 100.73(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.561(2)
_cell_length_b                   8.159(3)
_cell_length_c                   11.353(4)
_cell_measurement_reflns_used    16
_cell_measurement_temperature    293
_cell_measurement_theta_max      19
_cell_measurement_theta_min      17
_cell_volume                     506.1(3)
_computing_cell_refinement
;
CAD-4 Software
;
_computing_data_collection
;
CAD-4 Software (Enraf-Nonius, 1989)
;
_computing_data_reduction
;
MolEN PROCESS (Fair, 1990)
;
_computing_molecular_graphics
;
ORTEPII (Johnson, 1976)
;
_computing_structure_refinement
;
MolEN LSFM
;
_computing_structure_solution
;
MULTAN (Main et al., 1980) (direct methods)
;
_diffrn_measurement_device       'Enraf-Noinus CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            796
_diffrn_reflns_theta_max         34
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0730
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.10
_refine_diff_density_min         -0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.20
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     88
_refine_ls_number_reflns         391
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.00021
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          391
_reflns_number_total             754
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            na1166.cif
_cod_data_source_block           na1166a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' unit' changed to 'unit'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004163