Crystallography Open Database

Information card for entry 3500059

Preview

Coordinates	3500059.cif
Structure factors	3500059.hkl

Structure parameters

Common name	N-PdSO4
Formula	O4 Pd S
Calculated formula	O13 Pd S2
SMILES	[Pd+2].S(=O)(=O)([O-])[O-]
Title of publication	Approaching the crystal structure of N-PdSO4 in the monoclinic subcell a/2, b/2, c/2 (see J. Alloys and Compounds 216, 1994, 11-19)
Authors of publication	Yvon Laligant; Armel Le Bail
Journal of publication	Personal communication to COD
Year of publication	2016
a	4.9466 ± 0.001 Å
b	4.9481 ± 0.001 Å
c	6.1943 ± 0.001 Å
α	90°
β	92.8096 ± 0.001°
γ	90°
Cell volume	151.43 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1696
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.273
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
288183 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name.	3500059.cif 3500059.hkl
189154	2016-12-16	cif/ hkl/ Adding structures of 3500059 via cif-deposit CGI script.	3500059.cif 3500059.hkl