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_7204089
_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 H80 Cl4 Mn N8'
_chemical_formula_weight         1470.43
_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                 104.60(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.988(5)
_cell_length_b                   20.020(6)
_cell_length_c                   15.548(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    198.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.9
_cell_volume                     3912(2)
_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 0.9975
_diffrn_measured_fraction_theta_max 0.9975
_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  0.018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9608
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_decay_%        3.03
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.43
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.942
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     382
_refine_ls_number_reflns         5401
_refine_ls_R_factor_gt           0.1095
_refine_ls_shift/su_max          2.4717
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00490|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1653
_reflns_number_gt                5401
_reflns_number_total             8946
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b100936m.txt
_cod_data_source_block           MnTMesP_DMDCNQI_PhCl
_cod_original_cell_volume        3911(2)
_cod_original_formula_sum        'C90 H80 Cl4 N8 Mn '
_cod_database_code               7204089