Information card for entry 4078884

Structure parameters

• Formula: C18 H20 Au Cl2 N3
• Calculated formula: C18 H20 Au Cl2 N3
• SMILES: [Au]1(=C(N(c2c1cccc2)c1ccccn1)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: 9.3 ± 0.0019 Å
• b: 10.27 ± 0.002 Å
• c: 20.1 ± 0.004 Å
• α: 90°
• β: 100.55 ± 0.03°
• γ: 90°
• Cell volume: 1887.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No