Crystallography Open Database

Information card for entry 7233581

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Coordinates	7233581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H44 I8 S44
Calculated formula	C66 H44 I8 S44
Title of publication	A new (TTF)11I8 organic molecular conductor: from single crystals to flexible all-organic piezoresistive films
Authors of publication	Victor Lebedev; Elena Laukhina; Evelyn Moreno-Calvo; Concepcio Rovira; Vladimir Laukhin; Ivan Ivanov; Sergei M. Dolotov; Valery F. Traven; Vladimir V. Chernyshev; Jaume Veciana
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	139 - 146
a	26.376 ± 0.002 Å
b	16.0586 ± 0.0013 Å
c	24.243 ± 0.002 Å
α	90°
β	101.223 ± 0.002°
γ	90°
Cell volume	10072 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1487
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217869 (current)	2019-08-30	cif/ Adding structures of 7233581 via cif-deposit CGI script.	7233581.cif