Crystallography Open Database

Information card for entry 7013970

Preview

Coordinates	7013970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Au2 Br2 N12 O2
Calculated formula	C40 H40 Au2 Br2 N12 O2
SMILES	[Au]1=C2N3Cc4cccc(CN5C(N(Cc6cccc(CN2C=C3)n6)C=C5)=[Au]=C2N3Cc5cccc(CN6C=1N(Cc1cccc(CN2C=C3)n1)C=C6)n5)n4.[Br-].O.[Br-].O
Title of publication	Dinuclear gold(I) complexes of bridging bidentate carbene ligands: synthesis, structure and spectroscopic characterisation.
Authors of publication	Barnard, Peter J.; Baker, Murray V.; Berners-Price, Susan J; Skelton, Brian W.; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	7
Pages of publication	1038 - 1047
a	8.515 ± 0.001 Å
b	11.008 ± 0.002 Å
c	11.847 ± 0.002 Å
α	97.12 ± 0.003°
β	102.365 ± 0.003°
γ	97.137 ± 0.003°
Cell volume	1063.2 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections	0.042
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for all reflections	0.995
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7013970.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013970.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013970.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013970.cif