Information card for entry 7056090

Structure parameters

• Formula: C16 H24 Au Cl5 N2
• Calculated formula: C16 H24 Au Cl5 N2
• SMILES: c1(ccccc1)[C@@H](C)[NH3+].[C@H](c1ccccc1)(C)[NH3+].Cl[Au](Cl)(Cl)[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: 8.9036 ± 0.0005 Å
• b: 21.1337 ± 0.0013 Å
• c: 26.6726 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5018.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No