Information card for entry 7044514

Structure parameters

• Formula: C14 H20 Au Cl N2 O2
• Calculated formula: C14 H20 Au Cl N2 O2
• SMILES: [Au](Cl)=C(N(CC(=O)OCC)C)Nc1c(cccc1C)C
• Title of publication: Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals
• Authors of publication: Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.5095 ± 0.0002 Å
• b: 12.0198 ± 0.0003 Å
• c: 13.0933 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1653.97 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No