Crystallography Open Database

Information card for entry 4336342

Preview

Structure parameters

Formula	Au I4 O12 Rb
Calculated formula	Au I4 O12 Rb
SMILES	[I](O[Au](O[I](=O)=O)(O[I](=O)=O)O[I](=O)=O)(=O)=O.[Rb+]
Title of publication	Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates
Authors of publication	Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11551 - 11562
a	13.538 ± 0.011 Å
b	5.474 ± 0.004 Å
c	8.394 ± 0.006 Å
α	90°
β	108.993 ± 0.009°
γ	90°
Cell volume	588.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336342.cif
179466	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63.	4336342.cif
102320	2014-02-19	cif/ Adding structures of 4336342 via cif-deposit CGI script.	4336342.cif