Giant magnetoresistance response by the π‒d interaction in an axially ligated phthalocyanine conductor with two-dimensional π‒π stacking structure
Ishikawa, Manabu; Asari, Takehiro; Matsuda, Masaki; Tajima, Hiroyuki; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu; Journal of Materials Chemistry 20 (2010) 4432–; doi:10.1039/c0jm00161a

data_7212913
_publ_section_title
;
 Giant magnetoresistance response by the \p--d interaction in an axially
 ligated phthalocyanine conductor with two-dimensional \p--\p stacking
 structure
;
_journal_issue                   21
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              4432
_journal_paper_doi               10.1039/c0jm00161a
_journal_volume                  20
_journal_year                    2010
_chemical_formula_moiety         'C76 H39 Fe N11 O4 '
_chemical_formula_sum            'C76 H39 Fe N11 O4'
_chemical_formula_weight         1226.06
_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                99.45(1)
_cell_angle_beta                 93.663(8)
_cell_angle_gamma                95.382(7)
_cell_formula_units_Z            2
_cell_length_a                   10.704(2)
_cell_length_b                   24.232(6)
_cell_length_c                   10.425(2)
_cell_measurement_reflns_used    11136
_cell_measurement_temperature    109.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2646.9(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      109.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            23738
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.357
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1260.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.47
_refine_diff_density_min         -1.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     868
_refine_ls_number_reflns         11868
_refine_ls_R_factor_gt           0.0810
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1560
_reflns_number_gt                7817
_reflns_number_total             11869
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0jm00161a.txt
_cod_data_source_block           PXX2[Fe(Pc)(CN)2]CH3CN
_cod_original_cell_volume        2646(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C76 H39 Fe N11 O4 '
_cod_database_code               7212913