Information card for entry 4083360

Structure parameters

• Chemical name: bicorannulenyl-bis((18-crown-6-ether)-cesium) tetrahydrofuran solvate
• Formula: C64 H64 Cs2 O12
• Calculated formula: C64 H64 Cs2 O12
• Title of publication: Double-Concave Binding of Bicorannulenyl Dianion: Cesium vs Lithium Salts
• Authors of publication: Sumner, Natalie J.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Petrukhina, Marina A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2874
• a: 9.7188 ± 0.0009 Å
• b: 18.366 ± 0.0016 Å
• c: 21.6364 ± 0.0019 Å
• α: 69.988 ± 0.001°
• β: 86.213 ± 0.001°
• γ: 87.62 ± 0.001°
• Cell volume: 3620.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No