Crystallography Open Database

Information card for entry 4128347

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Coordinates	4128347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H162 Au24 Cd S18
Calculated formula	C72 H162 Au24.0004 Cd0.9996 S18
Title of publication	Metal Doping of Au<sub>25</sub>(SR)<sub>18</sub><sup>-</sup> Clusters: Insights and Hindsights.
Authors of publication	Fei, Wenwen; Antonello, Sabrina; Dainese, Tiziano; Dolmella, Alessandro; Lahtinen, Manu; Rissanen, Kari; Venzo, Alfonso; Maran, Flavio
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	16033 - 16045
a	16.2535 ± 0.0002 Å
b	17.3097 ± 0.0002 Å
c	25.0233 ± 0.0003 Å
α	107.579 ± 0.001°
β	91.4 ± 0.001°
γ	117.251 ± 0.001°
Cell volume	5855.46 ± 0.14 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
221470 (current)	2019-11-03	cif/ Adding structures of 4128347 via cif-deposit CGI script.	4128347.cif