Structural and electrical properties of bis(ethylenedithio)tetrathiafulvalenium hydrogen fumarate (2/1): a BEDT-TTF mixed-valency salt with a hydrogen-bonding organic anion
Giffard, Michel; Riou, Amédée; Mabon, Gilles; Mercier, Nicolas; Molinié, Philippe; Nguyen, Thien Phap; Journal of Materials Chemistry 9 (1999) 851–; doi:10.1039/a810002k

data_7213004
_publ_section_title
;
 Structural and electrical properties of
 bis(ethylenedithio)tetrathiafulvalenium hydrogen fumarate (2/1): a
 BEDT-TTF mixed-valency salt with a hydrogen-bonding organic anion
;
_journal_issue                   4
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              851
_journal_paper_doi               10.1039/a810002k
_journal_volume                  9
_journal_year                    1999
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_chemical_name_systematic        ' ?'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_measurement_theta_max      20
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_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/(\s^2^(Fo^2^) + 0.0064 Fo^4^)'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.092
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_reflns_observed_criterion       >3.0\s(I)
_cod_data_source_file            810002ksup1.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/(\s^2^(Fo^2^) + 0.0064
Fo^4^)' was changed to 'calc'. New tag '_refine_ls_weighting_details'
was created. The value of the new tag was set to 'w =
4Fo^2^/(\s^2^(Fo^2^) + 0.0064 Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        812.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        C24H19O4S16
_cod_database_code               7213004