Crystallography Open Database

Information card for entry 7060452

Preview

Coordinates	7060452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Mo12 N0.5 Na10.5 O63.5 Se2
Calculated formula	C6 Mo12 N0.5 Na10.5 O63.5 Se2
Title of publication	Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations
Authors of publication	Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	15
Pages of publication	6745 - 6752
a	10.5584 ± 0.0009 Å
b	13.5966 ± 0.001 Å
c	20.6658 ± 0.0016 Å
α	97.457 ± 0.003°
β	92.579 ± 0.003°
γ	109.222 ± 0.003°
Cell volume	2765.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.1026
Weighted residual factors for significantly intense reflections	0.2153
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
264933 (current)	2021-05-05	cif/ Updating files of 7060451, 7060452, 7060453 Original log message: Adding full bibliography for 7060451--7060453.cif.	7060452.cif
263008	2021-03-12	cif/ Adding structures of 7060451, 7060452, 7060453 via cif-deposit CGI script.	7060452.cif