Crystallography Open Database

Information card for entry 1575007

Preview

Coordinates	1575007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9
Calculated formula	C402.5 H396 Au21 Br Cl20 Cu30 F54 N17 P18 S9 Sb9
Title of publication	Intensive near-infrared emitting Au7Cu10 nanoclusters for both energy and electron harvesting
Authors of publication	Zhang, Wei; Xu, Tingting; Kong, Jie; Li, Yuanming; Zhou, Xiaoguo; Zhang, Jiachen; Zhang, Qun; Song, Yongbo; Luo, Yi; Zhou, Meng
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	20
Pages of publication	8910 - 8921
a	26.3081 ± 0.0016 Å
b	31.481 ± 0.002 Å
c	32.9947 ± 0.0019 Å
α	71.067 ± 0.004°
β	86.315 ± 0.004°
γ	89.79 ± 0.004°
Cell volume	25790 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	11
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1364
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.2446
Weighted residual factors for all reflections included in the refinement	0.2834
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300327 (current)	2025-07-04	cif/ Adding structures of 1575007 via cif-deposit CGI script.	1575007.cif