<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-bis[2-(2-pyridyl)ethyl](<i>p</i>-phenylenedimethylene)diammonium bis(perchlorate)
Yisgedu, Teshome B.; Tesema, Yohannes T.; Gultneh, Yilma; Butcher, Ray J.; Acta Crystallographica Section E 63 (2007) o4891–o4892; doi:10.1107/S1600536807060576

data_2216696
_publ_section_title
;<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-bis[2-(2-pyridyl)ethyl](<i>p</i>-phenylenedimethylene)diammonium
 bis(perchlorate)
;
_journal_coeditor_code           NG2378
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4891
_journal_page_last               o4892
_journal_paper_doi               10.1107/S1600536807060576
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C24 H32 N4 2+ , 2Cl O4 -'
_chemical_formula_moiety         'C24 H32 N4 2+ , 2Cl O4 -'
_chemical_formula_sum            'C24 H32 Cl2 N4 O8'
_chemical_formula_weight         575.44
_chemical_name_systematic
;
N,N'-Dimethyl-N,N'-bis[2-(2-pyridyl)ethyl](p-phenylenedimethylene)diammonium
bis(perchlorate)
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.284(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.443(3)
_cell_length_b                   11.484(2)
_cell_length_c                   16.046(3)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      12.49
_cell_measurement_theta_min      2.23
_cell_volume                     2757.7(9)
_computing_cell_refinement       'XSCANS (Bruker, 1997'
_computing_data_collection       'XSCANS (Bruker, 1997'
_computing_data_reduction        'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0967
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6558
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.289
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.794
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '\y-scan (North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.183
_refine_diff_density_min         -0.169
_refine_ls_extinction_coef       0.0028(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         6329
_refine_ls_number_restraints     272
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.1977
_refine_ls_R_factor_gt           0.0586
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0536P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1716
_reflns_number_gt                2137
_reflns_number_total             6329
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2378.cif
_cod_data_source_block           I
_cod_original_cell_volume        2757.6(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2216696
_cod_database_fobs_code          2216696