Crystallography Open Database

Information card for entry 4504093

Preview

Coordinates	4504093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H22 Mg O15 S
Calculated formula	H22 Mg O15 S
SMILES	[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].O.O.O.O.O
Title of publication	Crystallization and Characterization of a New Magnesium Sulfate Hydrate MgSO4·11H2O
Authors of publication	Genceli, F. Elif; Lutz, Martin; Spek, Anthony L.; Witkamp, Geert-Jan
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	12
Pages of publication	2460
a	6.72548 ± 0.00007 Å
b	6.77937 ± 0.00014 Å
c	17.2898 ± 0.0005 Å
α	88.255 ± 0.001°
β	89.478 ± 0.002°
γ	62.598 ± 0.001°
Cell volume	699.53 ± 0.03 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 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	0.0313
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179575 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/40.	4504093.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504093.cif
44916	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504093 via cif-deposit CGI script.	4504093.cif