Crystallography Open Database

Information card for entry 3500023

Preview

Coordinates	3500023.cif
Structure factors	3500023.hkl

Structure parameters

Formula	Cd3 H16 O20 S3
Calculated formula	Cd3 H16 O20 S3
SMILES	[Cd]([OH2])[OH2].S(=O)(=O)([O-])[O-].O
Title of publication	Cadmium Sulfate 8/3 hydrate
Authors of publication	Marilyn Olmstead
Journal of publication	Personal communication to COD
Year of publication	2015
a	14.7968 ± 0.0014 Å
b	11.8592 ± 0.0011 Å
c	9.4389 ± 0.0009 Å
α	90°
β	97.488 ± 0.002°
γ	90°
Cell volume	1642.2 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.013
Residual factor for significantly intense reflections	0.0126
Weighted residual factors for significantly intense reflections	0.0295
Weighted residual factors for all reflections included in the refinement	0.0297
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181860 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7.	3500023.cif 3500023.hkl
180707	2016-04-02	hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3.	3500023.cif 3500023.hkl
176722	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 3.	3500023.cif 3500023.hkl
135326	2015-04-21	cif/ hkl/ Adding structures of 3500023 via cif-deposit CGI script.	3500023.cif 3500023.hkl