Information card for entry 4089057

Structure parameters

• Formula: C21 H25 Au Cl N3
• Calculated formula: C21 H25 Au Cl N3
• SMILES: c1ccccc1c1c([Au]Cl)[n+](nn1C)c1c(cccc1C(C)C)C(C)C
• 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: 7.204 ± 0.0019 Å
• b: 12.403 ± 0.003 Å
• c: 23.705 ± 0.006 Å
• α: 90°
• β: 92.439 ± 0.005°
• γ: 90°
• Cell volume: 2116.2 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No