Crystallography Open Database

Information card for entry 7028225

Preview

Coordinates	7028225.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetraethylammonium aquachlorooxodiperoxomolybdate(VI)
Chemical name	Tetraethylammonium Aquachloridooxidodi(peroxido-κ^2^O,O)molybdate(VI)
Formula	C8 H22 Cl Mo N O6
Calculated formula	C8 H22 Cl Mo N O6
SMILES	[Mo]12(=O)(OO1)(OO2)([OH2])Cl.[N+](CC)(CC)(CC)CC
Title of publication	Synthesis, structure and spectroscopic analyses of aquachloridooxidodiperoxidomolybdate(VI).
Authors of publication	Saito, Masa-aki; Hashimoto, Masato
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	402 - 405
a	7.924 ± 0.0011 Å
b	11.524 ± 0.0017 Å
c	31.625 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2887.9 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028225.cif
105251	2014-03-12	cif/ Adding structures of 7028225, 7028226 via cif-deposit CGI script.	7028225.cif