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- W2001040482 abstract "C6HI4NO + . 2C ~2H4N; ~/2, HEM(TCNQ) 2, is triclinic, space group P1, with a = 14.177 (2), b = 7.558 (1), c=13.427(2)A, a =92.29(2), fl=80.81(1), y= 105.68(1) °, U=1367A 3, Z=2; dc=1.275, din= 1.267 Mg m -3. Final Rw(F)= 0.071 for 5291 independent reflections. The structure consists of sheets of TCNQ molecules parallel to (100), separated by HEM groups. Within the sheet TCNQ molecules, united in tetramers, form columns along c. Each tetramer is built up of two dimers related by an inversion centre. The distance between TCNQ molecules within a dimer is 3.23 (l)A; the intradimer overlap is of the ringexternal-bond type. Within a tetramer the separation between the dimers is 3.31 (1)A, and between successive tetramers 3.42 (1)/k, with overlaps of the shifted ring-ring and ring-external-bond type, respectively. At the HEM positions two randomly disordered molecules are found which differ in orientation. Their main conformational difference is the location of the ethyl CH 3 group with respect to the ring. Owing to Coulomb interaction with the HEM molecules there is a localization of charge on the two symmetrically related inner TCNQ molecules of the tetramers." @default.
- W2001040482 created "2016-06-24" @default.
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- W2001040482 date "1981-01-15" @default.
- W2001040482 modified "2023-09-26" @default.
- W2001040482 title "The structure of the 1:2 complex 4,4-dimethylmorpholinium 7 7,8,8-tetracyanoquinodimethanide, DMM(TCNQ)2, at 294 K" @default.
- W2001040482 doi "https://doi.org/10.1107/s0567740881002318" @default.
- W2001040482 hasPublicationYear "1981" @default.
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