Genuine organic magnetic semiconductors: electrical and magnetic properties of the TCNQ and iodide salts of methylpyridinium-substituted verdazyl radicals
Mukai, Kazuo; Jinno, Syunsuke; Shimobe, Yasuo; Azuma, Nagao; Taniguchi, Masateru; Misaki, Yohji; Tanaka, Kazuyoshi; Inoue, Katsuya; Hosokoshi, Yuko; Journal of Materials Chemistry 13 (2003) 1614–; doi:10.1039/b300029j

data_7204593
_publ_section_title
;
 Genuine organic magnetic semiconductors: electrical and magnetic
 properties of the TCNQ and iodide salts of
 methylpyridinium-substituted verdazyl radicals
;
_journal_issue                   7
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1614
_journal_paper_doi               10.1039/b300029j
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'C20 H19 I N5'
_chemical_formula_weight         456.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Tue Apr  2 16:51:59 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                96.493(9)
_cell_angle_beta                 91.11(1)
_cell_angle_gamma                76.89(1)
_cell_formula_units_Z            2
_cell_length_a                   8.703(2)
_cell_length_b                   13.522(1)
_cell_length_c                   8.3084(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      25.95
_cell_measurement_theta_min      25.50
_cell_volume                     946.1(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0760
_diffrn_measured_fraction_theta_max 1.0760
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3166
_diffrn_reflns_theta_full        61.61
_diffrn_reflns_theta_max         61.61
_diffrn_standards_decay_%        1.12
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.526
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.486
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews,1968)'
_exptl_crystal_colour            dark-violet
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.21
_refine_diff_density_min         -1.03
_refine_ls_extinction_coef       0.17(1)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.383
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3156
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w =3D 1/[\s^2^(Fo^2^) + (0.07400(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1265
_reflns_number_gt                2944
_reflns_number_total             3166
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b300029j.txt
_cod_data_source_block           '[p-MePyDV]I_99-10-20_Cu-ta'
_cod_original_cell_volume        946.2(2)
_cod_original_formula_sum        'C20 H19 I N5 '
_cod_database_code               7204593