Information card for entry 4089021

Structure parameters

• Formula: C13 H21 Au Cl2 N2 O
• Calculated formula: C13 H21 Au Cl2 N2 O
• SMILES: [Au]1(Cl)([N]2=C(N(C1=O)C1CCCCC1)CCC2(C)C)Cl
• Title of publication: 1,3-Dipolar Cycloaddition of Nitrones to Gold(III)-Bound Isocyanides
• Authors of publication: Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Kuznetsov, Maxim L.; Guedes da Silva, M. Fátima C.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3569
• a: 12.6932 ± 0.0008 Å
• b: 9.4828 ± 0.0008 Å
• c: 16.5854 ± 0.0007 Å
• α: 90°
• β: 98.846 ± 0.005°
• γ: 90°
• Cell volume: 1972.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No