Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic Acid
Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura; Journal of the American Chemical Society 127 (2005) 5010–5011; doi:10.1021/ja042212s

data_4111602
_publ_contact_author_email       s-horiuchi@aist.go.jp
_publ_contact_author_fax         +81-29-861-2586
_publ_contact_author_name        'Dr. Sachio HORIUCHI'
_publ_contact_author_phone       +81-29-861-2945
_publ_section_title
;
 Room-Temperature Ferroelectricity and Gigantic Dielectric Susceptibility
 on a Supramolecular Architecture of Phenazine and Deuterated Chloranilic
 Acid
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5010
_journal_page_last               5011
_journal_paper_doi               10.1021/ja042212s
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C18 H10 Br2 N2 O4 '
_chemical_formula_sum            'C18 H10 Br2 N2 O4'
_chemical_formula_weight         478.10
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2004-12-18
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 107.828(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.364(1)
_cell_length_b                   3.9220(5)
_cell_length_c                   17.395(2)
_cell_measurement_reflns_used    7950
_cell_measurement_temperature    298(1)
_cell_measurement_theta_max      80.13
_cell_measurement_theta_min      3
_cell_volume                     803.01(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'CrystalStructure 3.6.0'
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    Sir2002
_diffrn_measured_fraction_theta_full 0.3812
_diffrn_measured_fraction_theta_max 0.3812
_diffrn_measurement_device_type  'Rigaku IPDSC'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6868
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_theta_full        80.13
_diffrn_reflns_theta_max         80.13
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_exptl_absorpt_correction_T_max  0.601
_exptl_absorpt_correction_T_min  0.469
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_description       needle
_exptl_crystal_F_000             468.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.34
_refine_diff_density_min         -0.95
_refine_ls_extinction_coef       109(4)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_structure_factor_coef F
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_cod_data_source_block           '_PhenH2ba'
_cod_original_cell_volume        803.0(1)
_cod_original_formula_sum        'C18 H10 Br2 N2 O4 '
_cod_database_code               4111602