Crystallography Open Database

Information card for entry 1549134

Preview

Coordinates	1549134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Au Cl4 N
Calculated formula	C24 H22 Au Cl4 N
SMILES	[Au]1(c2cccc3ccc4ccc[n]1c4c23)(Cl)CCCCc1ccccc1.ClC(Cl)Cl
Title of publication	Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.
Authors of publication	Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	16
Pages of publication	3932 - 3940
a	7.4651 ± 0.0004 Å
b	9.8244 ± 0.0005 Å
c	16.963 ± 0.0009 Å
α	98.935 ± 0.002°
β	91.454 ± 0.002°
γ	106.868 ± 0.002°
Cell volume	1172.83 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0299
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228749 (current)	2019-11-17	cif/ Updating files of 1549133, 1549134 Original log message: Adding full bibliography for 1549133--1549134.cif.	1549134.cif
207117	2018-03-27	cif/ Adding structures of 1549133, 1549134 via cif-deposit CGI script.	1549134.cif