Crystallography Open Database

Information card for entry 1513857

Preview

Coordinates	1513857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Au2 N6
Calculated formula	C12 H16 Au2 N6
SMILES	[Au](=C1N(C=CN1C)C)=C1N(C=CN1C)C.[Au](C#N)C#N
Title of publication	Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−
Authors of publication	Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	4
Pages of publication	1348
a	15.634 ± 0.002 Å
b	6.3008 ± 0.0007 Å
c	8.0648 ± 0.001 Å
α	90°
β	108.223 ± 0.007°
γ	90°
Cell volume	754.59 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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 1.	1513857.cif
107090	2014-03-17	cif/ Adding structures of 1513856, 1513857, 1513858, 1513859 via cif-deposit CGI script.	1513857.cif