Information card for entry 1518449

Structure parameters

• Chemical name: bis(m6-h5:h6:h6:h6:h6:h6-Corannulene)- -bis(diglyme)-bis(diglyme)- -tetra-lithium-tetra-rubidium- tetrahydrofuran solvate
• Formula: C66 H80 Li3 O12.5 Rb5
• Calculated formula: C66 H80 Li3 O12.5 Rb5
• Title of publication: Self-assembly of tetrareduced corannulene with mixed Li‒Rb clusters: dynamic transformations, unique structures and record7Li NMR shifts
• Authors of publication: Filatov, Alexander S.; Spisak, Sarah N.; Zabula, Alexander V.; McNeely, James; Rogachev, Andrey Yu.; Petrukhina, Marina A.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1959
• a: 10.064 ± 0.003 Å
• b: 15.27 ± 0.004 Å
• c: 22.129 ± 0.006 Å
• α: 90.416 ± 0.003°
• β: 93.102 ± 0.003°
• γ: 94.532 ± 0.004°
• Cell volume: 3384.9 ± 1.6 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: 0.1703
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No