Information card for entry 7056089

Structure parameters

• Formula: C9 H9 Au Cl3 N
• Calculated formula: C9 H9 Au Cl3 N
• SMILES: [Au](Cl)(Cl)(Cl)C#[N]c1c(cccc1C)C
• Title of publication: Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes
• Authors of publication: Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 3246
• a: 8.2328 ± 0.0003 Å
• b: 13.6539 ± 0.0006 Å
• c: 10.9324 ± 0.0005 Å
• α: 90°
• β: 102.002 ± 0.002°
• γ: 90°
• Cell volume: 1202.05 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No