Crystallography Open Database

Information card for entry 7033376

Preview

Coordinates	7033376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Au Cl N2
Calculated formula	C12 H12 Au Cl N2
SMILES	[Au](Cl)=C1N(c2ccccc2N1CCC#C)C
Title of publication	N-heterocyclic carbene gold(I) and silver(I) complexes bearing functional groups for bio-conjugation.
Authors of publication	Garner, Mary E.; Niu, Weijia; Chen, Xigao; Ghiviriga, Ion; Abboud, Khalil A.; Tan, Weihong; Veige, Adam S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	4
Pages of publication	1914 - 1923
a	16.1759 ± 0.0009 Å
b	9.0017 ± 0.0005 Å
c	17.1889 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2502.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033376.cif
133268	2015-03-06	cif/ Updating files of 7033376 Original log message: Adding full bibliography for 7033376.cif.	7033376.cif
128498	2014-12-10	cif/ Adding structures of 7033376 via cif-deposit CGI script.	7033376.cif