2,6-Bis(2-pyridylamino)pyridinium perchlorate
Guo-Bing Yan; Acta Crystallographica Section E 62 (2006) o5296–o5297; doi:10.1107/S1600536806043984

data_2211244
_publ_section_title
;
 2,6-Bis(2-pyridylamino)pyridinium perchlorate
;
_journal_coeditor_code           YA2027
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o5296
_journal_page_last               o5297
_journal_paper_doi               10.1107/S1600536806043984
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C15 H14 N5 +, Cl O4 -'
_chemical_formula_moiety         'C15 H14 N5 +, Cl O4 -'
_chemical_formula_sum            'C15 H14 Cl N5 O4'
_chemical_formula_weight         363.76
_chemical_name_systematic
;
2,6-Bis(2-pyridylamino)pyridinium perchlorate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_cell_angle_alpha                90.00
_cell_angle_beta                 105.624(3)
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_cell_length_b                   19.538(5)
_cell_length_c                   7.8160(15)
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_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.9
_cell_measurement_theta_min      4.9
_cell_volume                     1567.1(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker,1998)'
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_computing_molecular_graphics    'SHELXTL(Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         2.1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    0.28
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.065
_refine_ls_R_factor_gt           0.051
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1091P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya2027.cif
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_cod_original_cell_volume        1567.2(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2211244
_cod_database_fobs_code          2211244