A uniform and one-dimensional stacking of 2,5-dichlorotetracyanoquinodimethanide molecules in the tetramethylarsonium salt
Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Mochida, Tomoyuki; Acta Crystallographica Section C 57 (2001) 400–402; doi:10.1107/S0108270101000245

data_2011897
_publ_section_title
;
 A uniform and one-dimensional stacking of
 2,5-dichlorotetracyanoquinodimethanide molecules in the
 tetramethylarsonium salt
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              400
_journal_page_last               402
_journal_paper_doi               10.1107/S0108270101000245
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C4 H12 As1 1+, C12 H2 Cl2 N4 1-'
_chemical_formula_moiety         'C4 H12 As1 1+, C12 H2 Cl2 N4 1-'
_chemical_formula_sum            'C16 H14 As Cl2 N4'
_chemical_formula_weight         408.14
_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'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 97.45(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.046(3)
_cell_length_b                   27.336(4)
_cell_length_c                   6.707(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      12.9
_cell_volume                     2008.1(19)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1985a)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985b)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full .9979
_diffrn_measured_fraction_theta_max .9979
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  .011
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_theta_max         27.54
_diffrn_standards_decay_%        9.95
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.962
_exptl_absorpt_correction_T_max  .675
_exptl_absorpt_correction_T_min  .668
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          .200
_exptl_crystal_size_mid          .200
_exptl_crystal_size_min          .200
_refine_diff_density_max         .78
_refine_diff_density_min         -.28
_refine_ls_extinction_method     none
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_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00096|Fo|^2^]'
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_cod_original_cell_volume        2007.0(10)
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