Crystallography Open Database

Information card for entry 4115078

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Coordinates	4115078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cu S12
Calculated formula	C16 H12 Cu S12
SMILES	C12=C(S[Cu]3(S1)SC1=C(S3)SC(=C3SC(=C(C)S3)C)S1)SC(=C1SC(=C(C)S1)C)S2
Title of publication	A Conducting Crystal Based on A Single-Component Paramagnetic Molecule, [Cu(dmdt)2] (dmdt = Dimethyltetrathiafulvalenedithiolate)
Authors of publication	Hisashi Tanaka; Hayao Kobayashi; Akiko Kobayashi
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	10002 - 10003
a	24.24 ± 0.02 Å
b	8.25 ± 0.006 Å
c	11.5 ± 0.008 Å
α	90°
β	91.38 ± 0.01°
γ	90°
Cell volume	2299 ± 3 Å³
Cell temperature	293.1 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 significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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