Crystallography Open Database

Information card for entry 8000510

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Coordinates	8000510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C333 H398 Ag45 Cl2 O26 S22
Calculated formula	C333 H398 Ag45 Cl2 O26 S22
Title of publication	Anisotropic Evolution of Nanoclusters from Ag40 to Ag45: Halogen- and Defect-Induced Epitaxial Growth in Nanoclusters
Authors of publication	Du, Wenjun; Deng, Shiyao; Chen, Shuang; Jin, Shan; Zhen, Yaru; Pei, Yong; Zhu, Manzhou
Journal of publication	The Journal of Physical Chemistry Letters
Year of publication	2021
Pages of publication	6654 - 6660
a	26.2935 ± 0.0009 Å
b	41.0208 ± 0.0014 Å
c	40.3958 ± 0.0014 Å
α	90°
β	104.188 ± 0.002°
γ	90°
Cell volume	42241 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2274
Residual factor for significantly intense reflections	0.1249
Weighted residual factors for significantly intense reflections	0.2797
Weighted residual factors for all reflections included in the refinement	0.3664
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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