Crystallography Open Database

Information card for entry 7053037

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Coordinates	7053037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 O S6
Calculated formula	C12 H10 O S6
Title of publication	Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation
Authors of publication	Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	4
Pages of publication	992
a	14.1392 ± 0.0002 Å
b	6.9205 ± 0.0001 Å
c	30.6289 ± 0.0005 Å
α	90°
β	94.125 ± 0.001°
γ	90°
Cell volume	2989.28 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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