Crystallography Open Database

Information card for entry 7115281

Preview

Coordinates	7115281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H111 Co N3 O14 V4
Calculated formula	C50 H111 Co N3 O14 V4
Title of publication	The anion-binding polyanion: a molecular cobalt vanadium oxide with anion-sensitive visual response
Authors of publication	Andrey Seliverstov; Johannes Forster; Magdalena Heiland; Johannes Unfried; Carsten Streb
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	7840
a	11.853 ± 0.0007 Å
b	21.6446 ± 0.0012 Å
c	12.5652 ± 0.0011 Å
α	90°
β	93.647 ± 0.006°
γ	90°
Cell volume	3217.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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