Crystallography Open Database

Information card for entry 7228504

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Structure parameters

Formula	H15 O10.5 S
Calculated formula	H15 O10.5 S
SMILES	[OH3+].[OH3+].O.O.O.O.O.S(=O)(=O)([O-])[O-]
Title of publication	On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O
Authors of publication	Mootz, Dietrich; Merschenz-Quack, Angelika
Journal of publication	Zeitschrift fur Naturforschung B
Year of publication	1987
Journal volume	42
Pages of publication	1231 - 1236
a	6.287 ± 0.001 Å
b	26.876 ± 0.005 Å
c	5.936 ± 0.001 Å
α	90°
β	112.26 ± 0.01°
γ	90°
Cell volume	928.3 ± 0.3 Å³
Ambient diffraction temperature	189 K
Number of distinct elements	3
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.025
Weighted residual factors for all reflections included in the refinement	0.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7228504.cif
197885	2017-06-16	cif/ Adding structures of 7228504 via cif-deposit CGI script.	7228504.cif