Information card for entry 7011340

Structure parameters

• Formula: C32 H80 Li8 N8 O8
• Calculated formula: C32 H80 Li8 N8 O8
• SMILES: [Li]123[O]4(CC[N]5(C)C)[Li]67[O](CC[N]6(C)C)([Li]68[O]79CC[N]7(C)C)[Li]%10%11[O]2(CC[N]1(C)C)[Li]12[O]%10(CC[N]%11(C)C)[Li]%10%11[O](CC[N]%11(C)C)([Li]79[O]6%10CC[N]8(C)C)[Li]45[O]23CC[N]1(C)C
• Title of publication: New homo- and hetero-alkali metal alkoxide cages; crystal structures of [Me2N(CH2)2OLi]8 and [{Me2N(CH2)2O}12Li8K6]O
• Authors of publication: Philip C. Andrews; Jonathan G. MacLellan; Robert E. Mulvey; Peter J. Nichols
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1651 - 1655
• a: 18.571 ± 0.004 Å
• b: 13.243 ± 0.003 Å
• c: 19.467 ± 0.004 Å
• α: 90°
• β: 95.3 ± 0.03°
• γ: 90°
• Cell volume: 4767.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No