Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)
Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun; Chem. Sci. 7 (2016) 3851–; doi:10.1039/C5SC04954G

data_1542569
_publ_section_title
;
 Switching charge-transfer characteristics from p-type to n-type through
 molecular &#x201C;doping&#x201D; (co-crystallization)
;
_journal_issue                   6
_journal_name_full               'Chem. Sci.'
_journal_page_first              3851
_journal_paper_doi               10.1039/C5SC04954G
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         'C88 H64 N12 S6'
_chemical_formula_sum            'C88 H64 N12 S6'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc1k9vc2
_audit_update_record
;
2015-11-30 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;
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_cell_angle_beta                 104.400(7)
_cell_angle_gamma                95.311(7)
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_cell_measurement_theta_max      25.40
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_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         3.079
_diffrn_standards_number         0
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_exptl_crystal_colour            green
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_exptl_crystal_description       prism
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0524P)^2^+1.6042P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           ThTADAPy
_cod_depositor_comments
'Adding full bibliography for 1542568--1542569.cif.'
_cod_original_cell_volume        1737.21(9)
_cod_database_code               1542569
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