Crystallography Open Database

Information card for entry 1566333

Preview

Coordinates	1566333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H55 N O13.5 V3
Calculated formula	C26 H55 N O13.5 V3
Title of publication	Versatile post-functionalisation strategy for the formation of modular organic-inorganic polyoxometalate hybrids.
Authors of publication	Salazar Marcano, David E.; Moussawi, Mhamad Aly; Anyushin, Alexander V.; Lentink, Sarah; Van Meervelt, Luc; Ivanović-Burmazović, Ivana; Parac-Vogt, Tatjana N
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	10
Pages of publication	2891 - 2899
a	13.052 ± 0.0012 Å
b	13.4949 ± 0.0009 Å
c	20.5929 ± 0.001 Å
α	90°
β	104.803 ± 0.008°
γ	90°
Cell volume	3506.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1287
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.246
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
274963 (current)	2022-05-05	cif/ Updating files of 1566332, 1566333 Original log message: Adding full bibliography for 1566332--1566333.cif.	1566333.cif
272858	2022-02-09	cif/ Adding structures of 1566332, 1566333 via cif-deposit CGI script.	1566333.cif