Crystallography Open Database

Information card for entry 4339684

Preview

Coordinates	4339684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Au2 N4 O4
Calculated formula	C54 H48 Au2 N4 O4
SMILES	C1=[N]([Au]2([Au](N1c1c(C)cccc1C)([N](c1c(cccc1C)C)=CN2c1c(cccc1C)C)OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1c(cccc1C)C.Cc1ccccc1
Title of publication	Oxidative addition of small molecules to a dinuclear Au(I) amidinate complex, Au2[(2,6-Me2Ph)2N2CH]2. Syntheses and characterization of Au(II) amidinate complexes including one which possesses Au(II)-oxygen bonds.
Authors of publication	Abdou, Hanan E.; Mohamed, Ahmed A.; Fackler, Jr, John P
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9692 - 9699
a	11.16 ± 0.003 Å
b	12.112 ± 0.003 Å
c	12.364 ± 0.003 Å
α	115.168 ± 0.004°
β	101.112 ± 0.004°
γ	106.253 ± 0.005°
Cell volume	1355.4 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1964
Weighted residual factors for all reflections included in the refinement	0.1996
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
179499 (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 4/33/96.	4339684.cif
117472	2014-06-15	cif/ Adding structures of 4339684 via cif-deposit CGI script.	4339684.cif