Crystallography Open Database

Information card for entry 4129695

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Coordinates	4129695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C158 H178 Au24 Cd S18
Calculated formula	C158 H178 Au24.0004 Cd0.9996 S18
Title of publication	Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.
Authors of publication	Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	49
Pages of publication	15350 - 15353
a	15.9937 ± 0.0013 Å
b	17.7756 ± 0.0014 Å
c	18.0174 ± 0.0014 Å
α	64.973 ± 0.001°
β	65.309 ± 0.001°
γ	81.159 ± 0.001°
Cell volume	4215.4 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0837
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.2309
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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