Information card for entry 7041892

Structure parameters

• Formula: C70 H90 Cs5 Li3 O12
• Calculated formula: C64 H76 Cs5 Li3 O12
• Title of publication: Mixing Li and Cs in the reduction of corannulene for the assembly of a cesium-capped sandwich with a hexanuclear heterometallic core.
• Authors of publication: Spisak, Sarah N.; Wei, Zheng; Petrukhina, Marina A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5625 - 5630
• a: 9.9515 ± 0.0007 Å
• b: 15.555 ± 0.0012 Å
• c: 23.2268 ± 0.0017 Å
• α: 85.201 ± 0.002°
• β: 82.849 ± 0.002°
• γ: 85.634 ± 0.002°
• Cell volume: 3547.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No