Information card for entry 7043196

Structure parameters

• Formula: C21 H32 Au Cl3 N8 O
• Calculated formula: C21 H32 Au Cl3 N8 O
• SMILES: [Au]12(=C3N(C=CN3C)CCN3C=1N(C=C3)C)=C1N(C=CN1C)CCN1C=2N(C=C1)C.[Cl-].[Cl-].[Cl-].OC
• Title of publication: Stable AuIII complexes with four N-heterocyclic carbene groups can be prepared in high yield directly from KAuCl4.
• Authors of publication: Mageed, Ahmed Hassoon; Skelton, Brian W.; Baker, Murray V.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.452 ± 0.0003 Å
• b: 21.5282 ± 0.0005 Å
• c: 14.1226 ± 0.0004 Å
• α: 90°
• β: 101.964 ± 0.003°
• γ: 90°
• Cell volume: 2513.88 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No