Crystallography Open Database

Information card for entry 4341579

Preview

Coordinates	4341579.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	larsen01
Formula	C23 H19 Au Cl3 N3 O
Calculated formula	C23 H19 Au Cl3 N3 O
SMILES	[Au]1(Cl)(Cl)(Cl)[n]2c3ccc(OC)cc3c(c3ccccc3)cc2c2[n]1cccc2.N#CC
Title of publication	Structure and Properties of Neutral and Cationic Gold(III) Complexes from Substituted 2-(2'-Pyridyl)quinoline Ligands.
Authors of publication	Laguna, Edward M.; Olsen, Pauline M.; Sterling, Michael D.; Eichler, Jack F.; Rheingold, Arnold L.; Larsen, Catharine H.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141112094903002
a	7.2272 ± 0.0004 Å
b	12.8348 ± 0.0007 Å
c	24.2847 ± 0.0013 Å
α	90°
β	94.064 ± 0.002°
γ	90°
Cell volume	2247 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341579.cif
127354	2014-11-16	cif/ Adding structures of 4341579 via cif-deposit CGI script.	4341579.cif