Crystallography Open Database

Information card for entry 4336341

Preview

Coordinates	4336341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au I4 Na O12
Calculated formula	Au I4 Na O12
SMILES	[I](=O)(=O)O[Au](O[I](=O)=O)(O[I](=O)=O)O[I](=O)=O.[Na+]
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	11.0586 ± 0.0005 Å
b	4.402 ± 0.0001 Å
c	12.5146 ± 0.0009 Å
α	90°
β	116.644 ± 0.004°
γ	90°
Cell volume	544.52 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179466 (current)	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.	4336341.cif
102319	2014-02-19	cif/ Adding structures of 4336341 via cif-deposit CGI script.	4336341.cif