Spin pairing, electrostatic and dipolar interactions influence stacking of radical anions in alkali salts of 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)
Molčanov, Krešimir; Kojić-Prodić, Biserka; CrystEngComm 19 (2017) 1801–; doi:10.1039/C7CE00261K

data_7227820
_publ_section_title
;
 Spin pairing, electrostatic and dipolar interactions influence stacking
 of radical anions in alkali salts of
 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile (DDQ)
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              1801
_journal_paper_doi               10.1039/C7CE00261K
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C8 H6 Cl2 Li N2 O5'
_chemical_formula_sum            'C8 H6 Cl2 Li N2 O5'
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_symmetry_space_group_name_Hall  '-P 1'
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;
2017-02-03 deposited with the CCDC.
2017-03-08 downloaded from the CCDC.
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
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'calc w=1/[\s^2^(Fo^2^)+(0.0485P)^2^+0.1497P] where P=(Fo^2^+2Fc^2^)/3'
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'Adding full bibliography for 7227819--7227824.cif.'
_cod_original_cell_volume        579.26(9)
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