Crystallography Open Database

Information card for entry 2019954

2019953 << 2019954 >> 2019955

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Coordinates	2019954.cif
Structure factors	2019954.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Rubidium sodium decavanadate
Chemical name	Tetrarubidium hexaaquasodium hydrogen decavanadate tetrahydrate,
Formula	H21 Na O38 Rb4 V10
Calculated formula	H21 Na O38 Rb4 V10
SMILES	[Rb+].O=[V]1234[OH][V]567(=O)O[V]89(O[V]%10%11%12%13O[V]%14%15%16(O[V]%17%18%19([O]%12[V]%12([O]168%11[V]16([O]8%13%14%17[V](O%18)(=O)(O1)(O[V]8([O]5%10)([OH]%15)(=O)[O]76)O%16)([O]%19%12)O3)(O9)(O2)=O)=O)=O)(O4)=O.[Rb+].O.[Rb+].O.[Na]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Rb+].O.O
Title of publication	One-dimensional decavanadate chains in the crystal structure of Rb~4~[Na(H~2~O)~6~][HV~10~O~28~]·4H~2~O
Authors of publication	Yakubovich, Olga V.; Steele, Ian M.; Yakovleva, Ekaterina V.; Dimitrova, Olga V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	6
a	10.7971 ± 0.0005 Å
b	11.0286 ± 0.0005 Å
c	13.7963 ± 0.0006 Å
α	90°
β	94.45 ± 0.0016°
γ	90°
Cell volume	1637.87 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.702
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181869 (current)	2016-04-06	hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99.	2019954.cif 2019954.hkl
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	2019954.cif 2019954.hkl
136663	2015-05-17	cif/ hkl/ Adding structures of 2019954 via cif-deposit CGI script.	2019954.cif 2019954.hkl