Information card for entry 7044519

Structure parameters

• Formula: C10 H20 Au Cl N2 O2
• Calculated formula: C10 H20 Au Cl N2 O2
• SMILES: [Au](Cl)=C(N(CC(=O)OCC)C)NC(C)(C)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: 12.0876 ± 0.0002 Å
• b: 9.4395 ± 0.0001 Å
• c: 13.5065 ± 0.0002 Å
• α: 90°
• β: 114.107 ± 0.002°
• γ: 90°
• Cell volume: 1406.7 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0132
• Residual factor for significantly intense reflections: 0.0125
• Weighted residual factors for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections included in the refinement: 0.0278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No