Crystallography Open Database

Information card for entry 4108921

Preview

Coordinates	4108921.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sodium sulfate octahydrate
Formula	H16 Na2 O12 S
Calculated formula	H16 Na2 O12 S
SMILES	[Na+].[Na+].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O
Title of publication	In Situ Characterization of Elusive Salt Hydrates-The Crystal Structures of the Heptahydrate and Octahydrate of Sodium Sulfate
Authors of publication	Iain D. H. Oswald; Andrea Hamilton; Christopher Hall; William G. Marshall; Timothy J. Prior; Colin R. Pulham
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17795 - 17800
a	7.8865 ± 0.0014 Å
b	8.096 ± 0.008 Å
c	8.2521 ± 0.0013 Å
α	85.73 ± 0.03°
β	86.239 ± 0.015°
γ	88.59 ± 0.03°
Cell volume	524.2 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for all reflections	0.2018
Weighted residual factors for significantly intense reflections	0.1914
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	0.9343
Diffraction radiation wavelength	0.7977 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4108921.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108921.cif
57390	2012-05-18	cif/ Adding structures of 4108921 via cif-deposit CGI script.	4108921.cif