Crystallography Open Database

Information card for entry 7210224

Preview

Coordinates	7210224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H92 Ba2 N11 O57 V15
Calculated formula	C55 H91.6 Ba2 N11 O57 V15
Title of publication	Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains
Authors of publication	Kastner, Katharina; Streb, Carsten
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	24
Pages of publication	4948
a	12.24 ± 0.002 Å
b	13.285 ± 0.003 Å
c	33.139 ± 0.007 Å
α	98.09 ± 0.03°
β	91.58 ± 0.03°
γ	106.32 ± 0.03°
Cell volume	5107 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1411
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
180433 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/02.	7210224.cif
87065	2013-07-13	cif/ Adding structures of 7210224, 7210225 via cif-deposit CGI script.	7210224.cif