Crystallography Open Database

Information card for entry 1571522

Preview

Coordinates	1571522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H146 Cu22.06 F24 P8 Se16
Calculated formula	C204 H146 Cu22 F24 P8 Se16
Title of publication	An insight, at the atomic level, into the structure and catalytic properties of the isomers of the Cu<sub>22</sub> cluster.
Authors of publication	Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	21
Pages of publication	10318 - 10324
a	20.2077 ± 0.0006 Å
b	29.3716 ± 0.0009 Å
c	36.4328 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	21624.1 ± 1.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293182 (current)	2024-07-05	cif/ Updating files of 1571521, 1571522 Original log message: Adding full bibliography for 1571521--1571522.cif.	1571522.cif
291449	2024-05-02	cif/ Adding structures of 1571521, 1571522 via cif-deposit CGI script.	1571522.cif