Crystallography Open Database

Information card for entry 4004056

Preview

Coordinates	4004056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C185 H278 Ag43 K N6 O112 P5 W30
Calculated formula	C185 H278 Ag43 K N6 O112 P5 W30
Title of publication	Janus Cluster: Asymmetric Coverage of a Ag43 Cluster on the Symmetric Preyssler P5W30 Polyoxometalate
Authors of publication	Zhang, Shan-Shan; Chen, Jing-Yi; Li, Kai; Yuan, Jun-Di; Su, Hai-Feng; Wang, Zhi; Kurmoo, Mohamedally; Li, Ying-Zhou; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di; Zheng, Lansun
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	24
Pages of publication	9708 - 9714
a	21.7545 ± 0.0003 Å
b	23.2675 ± 0.0004 Å
c	35.6129 ± 0.0005 Å
α	92.351 ± 0.001°
β	98.585 ± 0.001°
γ	110.774 ± 0.001°
Cell volume	16579.2 ± 0.5 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
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
271766 (current)	2022-01-04	cif/ Adding structures of 4004056 via cif-deposit CGI script.	4004056.cif