Crystallography Open Database

Information card for entry 2311985

2311984 << 2311985 >> 2311986

Preview

Coordinates	2311985.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide
Formula	C28 H38 Au I3 N4
Calculated formula	C28 H38 Au I3 N4
SMILES	[Au](I)[I-].[I-].[nH+]1cc(c(cc1)C)C.n1cc(c(cc1)C)C.[nH+]1cc(c(cc1)C)C.n1cc(c(cc1)C)C
Title of publication	3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.
Authors of publication	Döring, Cindy; Sui, Zhihong; Jones, Peter G.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2018
Journal volume	74
Journal issue	Pt 3
Pages of publication	289 - 294
a	7.7528 ± 0.0002 Å
b	14.5978 ± 0.0005 Å
c	14.4806 ± 0.0004 Å
α	90°
β	102.552 ± 0.003°
γ	90°
Cell volume	1599.66 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
246229 (current)	2019-12-27	cif/ Adding structures of 2311984, 2311985, 2311986, 2311987 via cif-deposit CGI script.	2311985.cif