Crystallography Open Database

Information card for entry 1574111

Preview

Coordinates	1574111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C241 H183 Ag7.17 Cl2 Cu39.83 F36 O24 P6 Se18
Calculated formula	C241 H182 Ag7.1667 Cl2 Cu39.8333 F36 O24 P6 Se18
Title of publication	Eight-Electron Copper-Hydride Nanoclusters: Synthesis, Structure, Alloying Chemistry and Photoluminescence
Authors of publication	Sun, Jing; Liu, Jiahe; Su, Hai-Feng; Li, Simin; Tang, Xiongkai; Xie, Zhenlang; Xu, Zhen; Jiang, Wenya; Wei, Jianyu; Gong, Xuekun; He, Ayisha; Wang, Song; Jiang, De-En; Zheng, Nanfeng; Shen, Hui
Journal of publication	Chemical Science
Year of publication	2025
a	21.2386 ± 0.0002 Å
b	36.7068 ± 0.0003 Å
c	38.4701 ± 0.0003 Å
α	90°
β	98.345 ± 0.001°
γ	90°
Cell volume	29673.8 ± 0.4 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	9
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
298360 (current)	2025-03-11	cif/ Adding structures of 1574111, 1574112 via cif-deposit CGI script.	1574111.cif