Information card for entry 1518448

Structure parameters

• Chemical name: bis(m6-h1:h5:h6:h6:h6:h6-Corannulene)- -(tetrahydrofuran-O,O)-bis(tetrahydrofuran-O,O,O)- -tetra-lithium-tetra-rubidium
• Formula: C60 H60 Li4 O5 Rb4
• Calculated formula: C60 H60 Li4 O5 Rb4
• 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: 14.166 ± 0.007 Å
• b: 13.519 ± 0.007 Å
• c: 25.901 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4960 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No