Crystallography Open Database

Information card for entry 7200429

7200428 << 7200429 >> 7200430

Preview

Coordinates	7200429.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate
Chemical name	tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate
Formula	C30 H40 Cu3 N20 O28 V10
Calculated formula	C30 H40 Cu3 N20 O28 V10
Title of publication	Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O
Authors of publication	Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	625
a	11.6713 ± 0.0016 Å
b	11.9766 ± 0.0016 Å
c	12.9 ± 0.0017 Å
α	100.226 ± 0.002°
β	105.549 ± 0.003°
γ	118.571 ± 0.002°
Cell volume	1422.6 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.199
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
180335 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/04.	7200429.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200429.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200429.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.	7200429.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200429.cif