Crystallography Open Database

Information card for entry 8000391

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Structure parameters

Formula	C216 H144 Cu25 F36 P12
Calculated formula	C216 H144 Cu25 F36 P12
Title of publication	Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.
Authors of publication	Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou
Journal of publication	The journal of physical chemistry letters
Year of publication	2019
Journal volume	10
Journal issue	20
Pages of publication	6124 - 6128
a	34.557 ± 0.003 Å
b	22.3796 ± 0.0019 Å
c	32.859 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	25412 ± 4 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 K
Number of distinct elements	5
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.1692
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2458
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000391.cif
236666	2019-11-24	cif/ Adding structures of 8000391 via cif-deposit CGI script.	8000391.cif