Information card for entry 1550806

Structure parameters

• Common name: sbe1-01-05
• Formula: C110 H128 Cu F6 N12 O2 Sb
• Calculated formula: C110 H128 Cu F6 N12 O2 Sb
• Title of publication: A bio-inspired imidazole-functionalised copper cage complex
• Authors of publication: Bete, Sarah C.; Würtele, Christian; Otte, Matthias
• Journal of publication: Chemical Communications
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 30
• Pages of publication: 4427 - 4430
• a: 15.9483 ± 0.0012 Å
• b: 18.9098 ± 0.0017 Å
• c: 20.1274 ± 0.0015 Å
• α: 93.485 ± 0.002°
• β: 110.627 ± 0.003°
• γ: 109.075 ± 0.002°
• Cell volume: 5261.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No