Information card for entry 1515107

Structure parameters

• Formula: C69 H52 Au F9 N8 O9 S3
• Calculated formula: C69 H52 Au F9 N8 O9 S3
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].C12N3C(=C(c4ccccc4)N1CN1C4N(C(=C1c1ccccc1)c1ccccc1)CCN1C5N(C(=C1c1ccccc1)c1ccccc1)CN1C(N(C(=C1c1ccccc1)c1ccccc1)CC3)=[Au]=2=4=5)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes
• Authors of publication: Lu, Zheng; Cramer, S. Alan; Jenkins, David M.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 3081
• a: 18.2751 ± 0.0017 Å
• b: 13.6076 ± 0.0013 Å
• c: 27.721 ± 0.003 Å
• α: 90°
• β: 92.926 ± 0.001°
• γ: 90°
• Cell volume: 6884.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No