Crystallography Open Database

Information card for entry 4063450

Preview

Coordinates	4063450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H20 Au Cl3 N2
Calculated formula	C11 H20 Au Cl3 N2
SMILES	[Au](Cl)(Cl)(Cl)=C1N(C=CN1C(C)(C)C)C(C)(C)C
Title of publication	Synthetic and Structural Studies of [AuCl3(NHC)] Complexes
Authors of publication	Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	394
a	9.091 ± 0.002 Å
b	15.134 ± 0.004 Å
c	11.724 ± 0.003 Å
α	90°
β	96.69 ± 0.007°
γ	90°
Cell volume	1602 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178529 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34.	4063450.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063450.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063450.cif
19491	2011-05-11	../uploads/cif-deposit/cod/cif Adding structures of 4063442, 4063443, 4063444, 4063445, 4063446, 4063447, 4063448, 4063449, 4063450, 4063451, 4063452 via cif-deposit CGI script.	4063450.cif