Crystallography Open Database

Information card for entry 1507795

Preview

Coordinates	1507795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 S4
Calculated formula	C13 H10 S4
SMILES	S1C(=C(SC1=C1SC(=C(S1)C#CC#C)C)C)C
Title of publication	Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films
Authors of publication	Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2012
Journal volume	116
Journal issue	22
Pages of publication	12093
a	7.514 ± 0.0005 Å
b	7.9218 ± 0.0008 Å
c	22.6337 ± 0.0019 Å
α	90°
β	93.267 ± 0.003°
γ	90°
Cell volume	1345.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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