Crystallography Open Database

Information card for entry 7134353

Preview

Coordinates	7134353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H161 N13 Nb2 O72 P8 S2 V14
Calculated formula	C52 H55 N2 Nb2 O64 P8 S2 V14
Title of publication	An open hollow polyoxovanadate cage based on {Nb(V5)} pentagons with size-selective encapsulation properties
Authors of publication	Fang, Renbo; Zhang, Di; Dong, Jing; Feng, Yeqin; Liu, Chengpeng; Yao, Liaoyuan; Chi, Yingnan; Hu, Changwen
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	33
Pages of publication	6182 - 6185
a	18.4212 ± 0.0004 Å
b	25.9376 ± 0.0005 Å
c	29.3062 ± 0.0006 Å
α	90°
β	92.117 ± 0.002°
γ	90°
Cell volume	13993 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1908
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300433 (current)	2025-07-06	cif/ Updating files of 7134353, 7134354, 7134355, 7134356 Original log message: Adding full bibliography for 7134353--7134356.cif.	7134353.cif
298576	2025-03-26	cif/ Adding structures of 7134353, 7134354, 7134355, 7134356 via cif-deposit CGI script.	7134353.cif