Crystallography Open Database

Information card for entry 7134354

Preview

Coordinates	7134354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H135 Cs4 N11 Nb2 O72 P8 S4 V14
Calculated formula	C13.75 H17.25 Cs1.0625 N0.625 Nb0.5 O18.4375 P2 S V3.5
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	26.0643 ± 0.0004 Å
b	31.9841 ± 0.0007 Å
c	16.5506 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	13797.3 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1327
Residual factor for significantly intense reflections	0.1161
Weighted residual factors for significantly intense reflections	0.3388
Weighted residual factors for all reflections included in the refinement	0.3531
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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.	7134354.cif
298576	2025-03-26	cif/ Adding structures of 7134353, 7134354, 7134355, 7134356 via cif-deposit CGI script.	7134354.cif