Crystallography Open Database

Information card for entry 1514860

Preview

Coordinates	1514860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Au Cl N2
Calculated formula	C19 H16 Au Cl N2
SMILES	[Au](Cl)=C1N(C=CN1C)Cc1c2ccccc2cc2c1cccc2
Title of publication	Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.
Authors of publication	Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia
Journal of publication	Metallomics : integrated biometal science
Year of publication	2013
Journal volume	5
Journal issue	8
Pages of publication	1006 - 1015
a	12.8493 ± 0.0004 Å
b	6.2192 ± 0.0002 Å
c	20.5103 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1639.03 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514860.cif
110371	2014-04-18	cif/ Adding structures of 1514860, 1514861 via cif-deposit CGI script.	1514860.cif