Crystallography Open Database

Information card for entry 4124196

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Coordinates	4124196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H162 Au24 Hg S18
Calculated formula	C144 H162 Au24.0004 Hg0.9996 S18
Title of publication	Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.
Authors of publication	Liao, Lingwen; Zhou, Shiming; Dai, Yafei; Liu, Liren; Yao, Chuanhao; Fu, Cenfeng; Yang, Jinlong; Wu, Zhikun
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	30
Pages of publication	9511 - 9514
a	31.5657 ± 0.0003 Å
b	27.3633 ± 0.0004 Å
c	18.7149 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	16164.8 ± 0.3 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.151
Residual factor for significantly intense reflections	0.1409
Weighted residual factors for significantly intense reflections	0.3305
Weighted residual factors for all reflections included in the refinement	0.3429
Goodness-of-fit parameter for all reflections included in the refinement	1.351
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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