Crystallography Open Database

Information card for entry 1519255

1519254 << 1519255 >> 1519256

Preview

Coordinates	1519255.cif
External links	PubChem

Structure parameters

Formula	Cl H5 O6
Calculated formula	Cl H5 O6
SMILES	Cl(=O)(=O)(=O)[O-].O.[OH3+]
Title of publication	ClH5O6
Authors of publication	Ward, Robert S.; Gelbrich, Thomas; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	825
a	7.9054 ± 0.0003 Å
b	10.5443 ± 0.0004 Å
c	5.9511 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	496.07 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.663
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519255.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519255.cif
135596	2015-05-06	cif/ Adding structures of 1519255 via cif-deposit CGI script.	1519255.cif