Crystallography Open Database

Information card for entry 7060406

Preview

Coordinates	7060406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Mo12 N8 O40 Si
Calculated formula	C12 H20 Mo12 N8 O40 Si
Title of publication	Polyoxometalate based ionic crystal: dual applications in selective colorimetric sensor for hydrated ZnCl2 and antimicrobial activity
Authors of publication	Sabarinathan, C.; Karthikeyan, M.; Murugappan, R. M.; Anthony, Savarimuthu Philip; Shankar, Bhaskaran; Parthasarathy, Kannabiran; Arumuganathan, T.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	12
Pages of publication	5576 - 5588
a	13.5335 ± 0.0011 Å
b	16.5838 ± 0.0014 Å
c	19.9675 ± 0.0017 Å
α	90°
β	90.12 ± 0.001°
γ	90°
Cell volume	4481.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0975
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.2092
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
263817 (current)	2021-04-05	cif/ Updating files of 7060406 Original log message: Adding full bibliography for 7060406.cif.	7060406.cif
261988	2021-02-16	cif/ Adding structures of 7060406 via cif-deposit CGI script.	7060406.cif