Crystallography Open Database

Information card for entry 2238743

Preview

Coordinates	2238743.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[2,2',2''-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]
Formula	C6 H23 N4 O10 V3
Calculated formula	C6 H23 N4 O10 V3
SMILES	[V](=O)(=O)O[V](=O)([O-])O[V]([O-])(=O)[O-].O.N(CC[NH3+])(CC[NH3+])CC[NH3+]
Title of publication	<i>catena</i>-Poly[2,2',2''-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]
Authors of publication	Chang, Kelvin B.; Smith, Matthew D.; Zeller, Matthias; Norquist, Alexander J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m570 - m571
a	9.6624 ± 0.0014 Å
b	10.9179 ± 0.0015 Å
c	15.768 ± 0.002 Å
α	90°
β	100.565 ± 0.002°
γ	90°
Cell volume	1635.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0877
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for all reflections	0.11
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.0022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238743.cif
91151	2013-12-09	cif/ Adding structures of 2238743 via cif-deposit CGI script.	2238743.cif