Crystallography Open Database

Information card for entry 1561002

Preview

Coordinates	1561002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.1 H105.26 N4 O24.52 V6
Calculated formula	C48.104 H105.26 N4 O24.526 V6
Title of publication	Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.
Authors of publication	Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.
Journal of publication	Nanoscale
Year of publication	2021
Journal volume	13
Journal issue	12
Pages of publication	6162 - 6173
a	12.6947 ± 0.0004 Å
b	15.5293 ± 0.0005 Å
c	18.1049 ± 0.0006 Å
α	90°
β	109.99 ± 0.004°
γ	90°
Cell volume	3354.2 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263801 (current)	2021-04-05	cif/ Updating files of 1561002, 1561003, 1561004, 1561005 Original log message: Adding full bibliography for 1561002--1561005.cif.	1561002.cif
263005	2021-03-12	cif/ Adding structures of 1561002, 1561003, 1561004, 1561005 via cif-deposit CGI script.	1561002.cif