Information card for entry 4089059

Structure parameters

• Formula: C24 H28 Au2 Cl2 N6
• Calculated formula: C24 H28 Au2 Cl2 N6
• SMILES: c1(c(n(n[n+]1c1c(cc(cc1C)C)C)C)c1c([n+](nn1C)c1c(cc(cc1C)C)C)[Au]Cl)[Au]Cl
• Title of publication: Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation
• Authors of publication: Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 22
• Pages of publication: 3828
• a: 8.2491 ± 0.0005 Å
• b: 11.6481 ± 0.0008 Å
• c: 27.725 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2664 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No