Crystallography Open Database

Information card for entry 2105954

Preview

Coordinates	2105954.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Sodium selenate heptahemihydrate
Formula	H15 Na2 O11.5 Se
Calculated formula	H15 Na2 O11.5 Se
SMILES	[Se](=O)(=O)([O-])[O-].[Na+].[Na+].O.O.O.O.O.O.O.O
Title of publication	Similarities and peculiarities between the crystal structures of the hydrates of sodium sulfate and selenate
Authors of publication	Kamburov, Stoyan; Schmidt, Horst; Voigt, Wolfgang; Balarew, Christo
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	4
Pages of publication	714 - 722
a	25.082 ± 0.007 Å
b	7.2222 ± 0.0013 Å
c	14.148 ± 0.005 Å
α	90°
β	106.08 ± 0.03°
γ	90°
Cell volume	2462.6 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2105954.cif
121040	2014-08-01	cif/ hkl/ Adding structures of 2105954, 2105955, 2105956, 2105957, 2105958 via cif-deposit CGI script.	2105954.cif