Crystallography Open Database

Information card for entry 1519484

1519483 << 1519484 >> 1519485

Preview

Coordinates	1519484.cif

Structure parameters

Formula	Al H12 O10 S
Calculated formula	Al H12 O10 S
SMILES	[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
Title of publication	AlH12O10S
Authors of publication	Jones, Ray C.F.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	938
a	10.0144 ± 0.0003 Å
b	7.2114 ± 0.0002 Å
c	24.3118 ± 0.0007 Å
α	90°
β	98.868 ± 0.002°
γ	90°
Cell volume	1734.76 ± 0.09 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	0.0293
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
176428 (current)	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.	1519484.cif
136043	2015-05-11	cif/ Adding structures of 1519484 via cif-deposit CGI script.	1519484.cif