Crystallography Open Database

Information card for entry 7013840

Preview

Coordinates	7013840.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Potassium dimeric diperoxo hydrogen citrato oxomolybdenum(VI)
Formula	C12 H23 K5 Mo2 O30
Calculated formula	C12 H23 K5 Mo2 O30
SMILES	C1(CC(=O)O)(C(=O)O[Mo]23(O1)(=O)(OO2)OO3)CC([O-])=O.OC(=O)CC1(C(O[Mo]23(O1)(=O)(OO2)OO3)=O)CC(=O)O.[K+].[K+].[K+].O.O.O.[K+].[K+].O.O.O
Title of publication	Peroxomolybdate(VI)-citrate and -malate complex interconversions by pH-dependence. Synthetic, structural and spectroscopic studies.
Authors of publication	Zhou, Zhao-Hui; Hou, Shu-Ya; Wan, Hui-Lin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	9
Pages of publication	1393 - 1399
a	7.9131 ± 0.0005 Å
b	9.4755 ± 0.0006 Å
c	11.3561 ± 0.0007 Å
α	72.314 ± 0.001°
β	77.384 ± 0.001°
γ	72.276 ± 0.001°
Cell volume	765.26 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0373
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179842 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/38.	7013840.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013840.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013840.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.	7013840.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013840.cif