Crystallography Open Database

Information card for entry 7127393

Preview

Coordinates	7127393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs4 H74 K8 Na5 Nb23 O115 V6
Calculated formula	Cs3 K6.5 Na Nb23 O91.5 V6
Title of publication	Self-assembly of polyoxovanadate-capped polyoxoniobates and their catalytic decontamination of sulfur mustard simulants.
Authors of publication	Zhen, Ni; Dong, Jing; Lin, Zhengguo; Li, Xiaoxia; Chi, Yingnan; Hu, Changwen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	90
Pages of publication	13967 - 13970
a	15.9678 ± 0.0008 Å
b	23.5105 ± 0.0013 Å
c	16.2976 ± 0.0009 Å
α	90°
β	104.33 ± 0.0016°
γ	90°
Cell volume	5927.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2196
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
260657 (current)	2021-01-07	cif/ Updating files of 7127392, 7127393 Original log message: Adding full bibliography for 7127392--7127393.cif.	7127393.cif
258239	2020-10-08	cif/ Adding structures of 7127392, 7127393 via cif-deposit CGI script.	7127393.cif