Crystallography Open Database

Information card for entry 7041274

Preview

Coordinates	7041274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Au Cl N3
Calculated formula	C18 H19 Au Cl N3
SMILES	[Au](Cl)c1n(n[n+](c1c1ccccc1)C)c1c(C)cc(cc1C)C
Title of publication	Phosphinines versus mesoionic carbenes: a comparison of structurally related ligands in Au(i)-catalysis.
Authors of publication	Rigo, Massimo; Hettmanczyk, Lara; Heutz, Frank J. L.; Hohloch, Stephan; Lutz, Martin; Sarkar, Biprajit; Müller, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	46
Journal issue	1
Pages of publication	86 - 95
a	20.988 ± 0.005 Å
b	6.425 ± 0.005 Å
c	13.166 ± 0.005 Å
α	90°
β	100.804 ± 0.005°
γ	90°
Cell volume	1743.9 ± 1.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0665
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191690 (current)	2017-02-04	cif/ Updating files of 7041274, 7041275 Original log message: Adding full bibliography for 7041274--7041275.cif.	7041274.cif
188764	2016-11-30	cif/ Adding structures of 7041274, 7041275 via cif-deposit CGI script.	7041274.cif