Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series
Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis; Journal of Materials Chemistry C 7 (2019) 12664–; doi:10.1039/C9TC04243A

data_7237985
_publ_section_title
;
 Chiral EDT-TTF precursors with one stereogenic centre: substituent size
 modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or
 Et) series
;
_journal_issue                   40
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              12664
_journal_paper_doi               10.1039/C9TC04243A
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C18 H16 F6 P S12'
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_audit_update_record
;
2019-07-05 deposited with the CCDC.	2019-09-23 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      150.00(10)
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_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'SuperNova, Single source at offset, AtlasS2'
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'SuperNova(Cu) micro-focus sealed X-ray Source'
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0589
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0764P)^2^+0.8214P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4132
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9tc04243a2.cif
_cod_data_source_block           (rac-1)PF6
_cod_original_cell_volume        686.72(10)
_cod_database_code               7237985
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_shelx_res_checksum              15556