Crystallography Open Database

Information card for entry 8102198

Preview

Coordinates	8102198.cif

Structure parameters

Chemical name	hexaquis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate
Formula	C48 H74 F6 N6 O32 V10
Calculated formula	C48 H70 F6 N6 O32 V10
Title of publication	Crystal structure of hexakis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate, (C8H11FN)6[V10O28] · 4H2O
Authors of publication	Francesc Yraola; Fernando Albericio; Miriam Royo; Xavier Solans
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	1
Pages of publication	45
a	10 ± 0.001 Å
b	18.713 ± 0.001 Å
c	19.07 ± 0.001 Å
α	90°
β	101.06 ± 0.01°
γ	90°
Cell volume	3502.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102198.cif
108108	2014-03-27	cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other.	8102198.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102198.cif
12937	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102198 via cif-deposit CGI script.	8102198.cif