Crystallography Open Database

Information card for entry 4334233

Preview

Coordinates	4334233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 N12 O6 Re6 S36 Se8
Calculated formula	C60 H42 N12 O6 Re6 S36 Se7.998
Title of publication	Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]
Authors of publication	Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3326 - 3333
a	14.8819 ± 0.0001 Å
b	14.8819 ± 0.0001 Å
c	14.8819 ± 0.0001 Å
α	61.078 ± 0.001°
β	61.078 ± 0.001°
γ	61.078 ± 0.001°
Cell volume	2387.12 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :R
Hall space group symbol	-P 3*
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for all reflections	0.1869
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1869
Goodness-of-fit parameter for all reflections included in the refinement	0.9489
Diffraction radiation wavelength	0.6751 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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