Information card for entry 4078883

Structure parameters

• Formula: C18 H20 Au Cl2 N3
• Calculated formula: C18 H20 Au Cl2 N3
• SMILES: [Au]1(=C(N(c2c1cccc2)c1ncccc1)NC1CCCCC1)(Cl)Cl
• Title of publication: Facile Synthesis of Gold(III) Aryl‒Carbene Metallacycles
• Authors of publication: Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Montanel-Pérez, Sara; Villacampa, M. Dolores
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5520
• a: 11.02 ± 0.002 Å
• b: 13.068 ± 0.003 Å
• c: 13.431 ± 0.003 Å
• α: 103.22 ± 0.03°
• β: 96.52 ± 0.03°
• γ: 103.86 ± 0.03°
• Cell volume: 1798.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No