Information card for entry 1546585

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 ų
• 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 Fobs: No