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_7204090
_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_sum            'C90 H90 Mn N8 O2'
_chemical_formula_weight         1370.69
_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'
_cell_angle_alpha                104.33(1)
_cell_angle_beta                 95.09(2)
_cell_angle_gamma                111.35(1)
_cell_formula_units_Z            1
_cell_length_a                   12.795(2)
_cell_length_b                   14.082(2)
_cell_length_c                   12.042(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     1919.1(6)
_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 0.9974
_diffrn_measured_fraction_theta_max 0.9974
_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  0.013
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11637
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_standards_decay_%        3.20
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.226
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.750
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.657
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     458
_refine_ls_number_reflns         11174
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          1.7754
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00060|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                8160
_reflns_number_total             11174
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b100936m.txt
_cod_data_source_block           MnTMP.DCNQI-OMe.p-xy
_cod_original_cell_volume        1919.2(7)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C90 H90 N8 Mn O2 '
_cod_database_code               7204090