Crystallography Open Database

Information card for entry 7012627

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Coordinates	7012627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 N6 O3 V Zn0.5
Calculated formula	C18 H12 N6 O3 V Zn0.5
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	15.8249 ± 0.0011 Å
b	81.248 ± 0.006 Å
c	5.3089 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6825.9 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	7012627.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012627.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012627.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.	7012627.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012627.cif