Information card for entry 4089058

Structure parameters

• Formula: C30 H40 Au2 Cl2 N6
• Calculated formula: C30 H40 Au2 Cl2 N6
• SMILES: [Au](c1n(c2c(C(C)C)cccc2C(C)C)n[n+](C)c1c1n(n[n+](c2c(C(C)C)cccc2C(C)C)c1[Au]Cl)C)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: 13.423 ± 0.004 Å
• b: 16.26 ± 0.004 Å
• c: 15.29 ± 0.004 Å
• α: 90°
• β: 91.597 ± 0.006°
• γ: 90°
• Cell volume: 3335.9 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1247
• 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