Crystallography Open Database

Information card for entry 1546585

Preview

Coordinates	1546585.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Bis(NQMes)Au][AgCl2]
Formula	C58 H52 Ag Au Cl2 N4 O4
Calculated formula	C58 H52 Ag Au Cl2 N4 O4
SMILES	[Au](=C1N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Ag](Cl)[Cl-]
Title of publication	Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes
Authors of publication	McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan
Journal of publication	Chem. Sci.
Year of publication	2017
a	22.04 ± 0.003 Å
b	16.674 ± 0.002 Å
c	14.2441 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5234.6 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
198905 (current)	2017-07-22	cif/ Adding structures of 1546584, 1546585 via cif-deposit CGI script.	1546585.cif