Crystallography Open Database

Information card for entry 7013973

Preview

Coordinates	7013973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Au2 I2 N8
Calculated formula	C18 H24 Au2 I2 N8
SMILES	[Au]1=C2N(C=CN2C)CN2C(=[Au]=C3N(CN4C=1N(C=C4)C)C=CN3C)N(C=C2)C.[I-].[I-]
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	7.776 ± 0.001 Å
b	12.487 ± 0.002 Å
c	13.911 ± 0.002 Å
α	69.544 ± 0.003°
β	81.978 ± 0.003°
γ	88.246 ± 0.003°
Cell volume	1252.9 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 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	0.106
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections	1.035
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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.	7013973.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013973.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013973.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013973.cif