Crystallography Open Database

Information card for entry 7024085

Preview

Coordinates	7024085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H9 As F N O5 V
Calculated formula	C3 H9 As F N O5 V
Title of publication	Catalytic performance of the high and low temperature polymorphs of (C6N2H16)0.5[(VO)(HAsO4)F]: structural, thermal, spectroscopic and magnetic studies.
Authors of publication	Berrocal, Teresa; Mesa, José L; Pizarro, José L; Bazán, Begoña; Iglesias, Marta; Vilas, José L; Rojo, Teófilo; Arriortua, María I
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	3
Pages of publication	834 - 846
a	21.065 ± 0.002 Å
b	7.2717 ± 0.0004 Å
c	10.3959 ± 0.001 Å
α	90°
β	104.29 ± 0.008°
γ	90°
Cell volume	1543.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation probe	x-ray
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
179945 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/40.	7024085.cif
92129	2014-01-12	cif/ Adding structures of 7024084, 7024085 via cif-deposit CGI script.	7024085.cif