Crystallography Open Database

Information card for entry 4339686

Preview

Coordinates	4339686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H80 Au4 Cl4 N8
Calculated formula	C72 H84 Au4 Cl6 N8
SMILES	c1(c(cccc1C)C)N1[Au]2([Au]([N](=CN2c2c(cccc2C)C)c2c(cccc2C)C)([N](=C1)c1c(cccc1C)C)Cl)Cl.N1([Au]2[N](=CN([Au]2[N](=C1)c1c(cccc1C)C)c1c(cccc1C)C)c1c(C)cccc1C)c1c(cccc1C)C.C(CCl)Cl.C(CCl)Cl
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	16.597 ± 0.003 Å
b	10.606 ± 0.002 Å
c	19.809 ± 0.003 Å
α	90°
β	94.155 ± 0.006°
γ	90°
Cell volume	3477.8 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.119
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.2956
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	1.334
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.	4339686.cif
117474	2014-06-15	cif/ Adding structures of 4339686 via cif-deposit CGI script.	4339686.cif