Crystallography Open Database

Information card for entry 1570494

Preview

Coordinates	1570494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H128 Cl11 Cu24 Gd6 N12 O138
Calculated formula	C48 H128 Cl11 Cu24 Gd6 N12 O138
Title of publication	Soluble Gd<sub>6</sub>Cu<sub>24</sub> clusters: effective molecular electrocatalysts for water oxidation.
Authors of publication	Chen, Jia-Nan; Pan, Zhong-Hua; Qiu, Qi-Hao; Wang, Cheng; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	2
Pages of publication	511 - 515
a	18.7431 ± 0.0005 Å
b	18.7639 ± 0.0005 Å
c	19.9485 ± 0.0006 Å
α	65.084 ± 0.003°
β	76.898 ± 0.002°
γ	60.275 ± 0.003°
Cell volume	5524.1 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1447
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
289421 (current)	2024-02-04	cif/ Updating files of 1570494, 1570495 Original log message: Adding full bibliography for 1570494--1570495.cif.	1570494.cif
288051	2023-12-06	cif/ Adding structures of 1570494, 1570495 via cif-deposit CGI script.	1570494.cif