Crystallography Open Database

Information card for entry 2019278

2019277 << 2019278 >> 2019279

Preview

Coordinates	2019278.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>OC</i>-6‒13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)
Formula	C9 H23 F2 O4 V
Calculated formula	C9 H23 F2 O4 V
SMILES	CC(C)[OH][V](=O)([OH]C(C)C)(OC(C)C)(F)F
Title of publication	(<i>OC</i>-6-13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)
Authors of publication	Kohl, Julia; Wiedemann, Dennis
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1482 - 1484
a	9.0943 ± 0.0009 Å
b	9.9151 ± 0.0008 Å
c	16.4279 ± 0.0013 Å
α	97.315 ± 0.007°
β	97.69 ± 0.007°
γ	92.324 ± 0.007°
Cell volume	1453.5 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019278.cif
92092	2014-01-12	cif/ Adding structures of 2019278 via cif-deposit CGI script.	2019278.cif