Information card for entry 7011341

Structure parameters

• Formula: C60 H140 K6 Li8 N12 O15
• Calculated formula: C60.06 H120 K6 Li8 N12 O15
• 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: 14.895 ± 0.002 Å
• b: 14.895 ± 0.002 Å
• c: 36.505 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7014 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1899
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2358
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No