Crystallography Open Database

Information card for entry 7007265

Preview

Coordinates	7007265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 Au Cl N4
Calculated formula	C18 H32 Au Cl N4
SMILES	[Au](=C1N(C=CN1C(C)C)C(C)C)=C1N(C=CN1C(C)C)C(C)C.[Cl-]
Title of publication	Cationic, linear Au(I) N-heterocyclic carbene complexes: synthesis, structure and anti-mitochondrial activity.
Authors of publication	Baker, Murray V.; Barnard, Peter J.; Berners-Price, Susan J; Brayshaw, Simon K.; Hickey, James L.; Skelton, Brian W.; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	30
Pages of publication	3708 - 3715
a	10.692 ± 0.002 Å
b	10.855 ± 0.002 Å
c	10.818 ± 0.002 Å
α	90°
β	118.252 ± 0.002°
γ	90°
Cell volume	1106 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.026
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for significantly intense reflections	0.96
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7007265.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007265.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007265.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007265.cif