Information card for entry 7056091

Structure parameters

• Formula: C23 H22 Au Cl6 N3
• Calculated formula: C23 H22 Au Cl6 N3
• SMILES: [Au](=C(NN=C(c1ccccc1)c1ccccc1)Nc1c(cccc1C)C)(Cl)(Cl)Cl.ClC(Cl)Cl
• 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: 10.0454 ± 0.001 Å
• b: 14.1896 ± 0.0012 Å
• c: 19.4905 ± 0.0018 Å
• α: 90°
• β: 93.721 ± 0.005°
• γ: 90°
• Cell volume: 2772.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No