Information card for entry 7010211

Structure parameters

• Formula: C64 H89 Li4 N8 Na5 O5
• Calculated formula: C64 H89 Li4 N8 Na5 O5
• SMILES: [Na]12([n]3ccc(cc3)C)[O]34(C(C)(C)C)[Na]567[O]89(C(C)(C)C)[Na]%10([n]%11ccc(cc%11)C)[NH]2(c2ccccc2)[Li]49[OH]245[Li]35[NH]1(c1ccccc1)[Na]1([n]3ccc(cc3)C)[O]56(C(C)(C)C)[Li]32[NH]1(c1ccccc1)[Na]1([n]2ccc(cc2)C)[O]37(C(C)(C)C)[Li]48[NH]1%10c1ccccc1
• Title of publication: A new approach to lithium–heavier alkali metal interchange reactions: synthesis of a tetralithium pentasodium mixed alkoxide–amide dome-shaped cage compound with an encapsulated hydroxide molecule †
• Authors of publication: Kennedy, Alan R.; MacLellan, Jonathan G.; Mulvey, Robert E.; Robertson, Alan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4112
• a: 28.808 ± 0.009 Å
• b: 9.246 ± 0.004 Å
• c: 29.477 ± 0.009 Å
• α: 90°
• β: 115.87 ± 0.02°
• γ: 90°
• Cell volume: 7065 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No