Crystallography Open Database

Information card for entry 4330142

Preview

Coordinates	4330142.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K9[V16O38(CN)].13(H2O)
Chemical name	K9[V16O38(CN)].13(H2O)
Formula	C K9 N O51 V16
Calculated formula	C K9 N O51 V16
Title of publication	[V16O38(CN)]9-: A Soluble Mixed-Valence Redox-Active Building Block with Strong Antiferromagnetic Coupling
Authors of publication	Tony D. Keene; Deanna M. D'Alessandro; Karl W. Krämer; Jason R. Price; David J. Price; Silvio Decurtins; Cameron J. Kepert
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9192 - 9199
a	11.3351 ± 0.0009 Å
b	20.1302 ± 0.0016 Å
c	22.513 ± 0.0016 Å
α	90°
β	94.978 ± 0.002°
γ	90°
Cell volume	5117.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179404 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/01.	4330142.cif
79392	2013-04-05	cif/ Adding structures of 4330142 via cif-deposit CGI script.	4330142.cif