Crystallography Open Database

Information card for entry 7012629

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Coordinates	7012629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Cu1.5 N6 O14 V4
Calculated formula	C18 H12 Cu1.5 N6 O14 V4
Title of publication	Solid state coordination chemistry: secondary metal‒ligand influences on the structures of vanadium oxides. Hydrothermal syntheses and structures of [Zn(tpytrz)2V2O6], [Zn3(tpytrz)2(H2O)2V6O18]·6H2O and [Cu3(tpytrz)2(H2O)2V8O23]·3H2O (tpytrz = 2,4,6-tri(4-pyridyl)-1,3,5-triazine)Electronic supplementary information (ESI) available: colour versions of Fig. 1‒3. See http://www.rsc.org/suppdata/dt/b2/b212458k/
Authors of publication	Rarig, Jr., Randy S.; Zubieta, Jon
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	9
Pages of publication	1861
a	14.368 ± 0.003 Å
b	25.739 ± 0.005 Å
c	14.813 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5478.1 ± 1.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7012629.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012629.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012629.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7012629.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012629.cif