Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)
Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru; Journal of Materials Chemistry 11 (2001) 2152–; doi:10.1039/b100936m

data_7204088
_publ_section_title
;
 Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine
 (DCNQI) electron transfer salts with porphyrinatomanganese(II)
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2152
_journal_paper_doi               10.1039/b100936m
_journal_volume                  11
_journal_year                    2001
_chemical_formula_moiety         'C10 H8 N4 O2 '
_chemical_formula_sum            'C10 H8 N4 O2'
_chemical_formula_weight         216.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.84(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.716(2)
_cell_length_b                   16.583(2)
_cell_length_c                   6.709(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223.7
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      13.9
_cell_volume                     507.2(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.5086
_diffrn_measured_fraction_theta_max 0.5086
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            1298
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_standards_decay_%        1.12
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.960
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.750
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.272
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     74
_refine_ls_number_reflns         1165
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.2677
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                755
_reflns_number_total             386
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b100936m.txt
_cod_data_source_block           25OMe-DCNQI
_cod_original_cell_volume        507.2(2)
_cod_original_formula_sum        'C10 H8 N4 O2 '
_cod_database_code               7204088