Crystallography Open Database

Information card for entry 7061188

Preview

Coordinates	7061188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H425 Cu16 K2 N64 Nb48 O233 V21
Calculated formula	C96 H304 Cu16 K2 N64 Nb48 O233 V21
Title of publication	Crystal structure and electrochemistry properties of one two-dimensional heteropolyoxoniobate based on four- and five-vanadium-capped Keggin anions
Authors of publication	Guo, Hui-Li; Wang, Yi-Kun; Qu, Xiao-Jie; Feng, Rui; Pang, Jing-Yu; Bai, Yan; Dang, Dong-Bin
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	4
Pages of publication	1494 - 1497
a	26.3773 ± 0.0017 Å
b	26.3773 ± 0.0017 Å
c	27.4429 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	19094 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
272722 (current)	2022-02-04	cif/ Updating files of 7061188 Original log message: Adding full bibliography for 7061188.cif.	7061188.cif
272014	2022-01-13	cif/ Adding structures of 7061188 via cif-deposit CGI script.	7061188.cif