Crystallography Open Database

Information card for entry 7003080

Preview

Coordinates	7003080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 N4 O8 V
Calculated formula	C11 H9 N4 O7.9985 V
Title of publication	Interpretation of the multiple vanadium-oxygen bonds in the central VO(η2-O2)+ group. Synthesis, structure, supramolecular interactions and DFT studies for complexes with 2,2′-bipyridine, 1,10-phenanthroline, pyrazinato(1‒) and pyrazinamide ligands
Authors of publication	Pacigová, Silvia; Gyepes, Róbert; Tatiersky, Jozef; Sivák, Michal
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	1
Pages of publication	121
a	7.016 ± 0.0006 Å
b	14.335 ± 0.0015 Å
c	15.269 ± 0.0012 Å
α	84.769 ± 0.005°
β	90.185 ± 0.006°
γ	83.266 ± 0.005°
Cell volume	1518.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1584
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2332
Weighted residual factors for all reflections included in the refinement	0.2584
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179734 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/30.	7003080.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003080.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003080.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003080.cif