Crystallography Open Database

Information card for entry 4320923

4320922 << 4320923 >> 4320924

Preview

Coordinates	4320923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cr K3 O8
Calculated formula	Cr K3 O8
SMILES	[Cr]1234(OO1)(OO2)(OO3)OO4.[K+].[K+].[K+]
Title of publication	Bond Valence Sums in Coordination Chemistry. Calculation of the Oxidation State of Chromium in Complexes Containing Only Cr-O Bonds and a Redetermination of the Crystal Structure of Potassium Tetra(peroxo)chromate(V)
Authors of publication	Richard M. Wood; Khalil A. Abboud; Ruth C. Palenik; Gus J. Palenik
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2065 - 2068
a	6.694 ± 0.0003 Å
b	6.694 ± 0.0003 Å
c	7.5736 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	339.37 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0149
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for all reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0408
Goodness-of-fit parameter for all reflections	1.032
Goodness-of-fit parameter for significantly intense reflections	1.034
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
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320923.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4320923.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320923.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320923.cif
18245	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320923 via cif-deposit CGI script.	4320923.cif