Information card for entry 7006402

Structure parameters

• Formula: C96 H136 B2 Li16 N16 O12
• Calculated formula: C96 H136 B2 Li16 N16 O12
• Title of publication: Lithium-nitrogen and lithium-boron-nitrogen cage compounds formed using the phenylhydrazido backbone.
• Authors of publication: Aspinall, Garreth M.; Copsey, May C.; Jeffery, John C.; Breakspear, Angela P.; Russell, Christopher A.; Slattery, John M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1234 - 1238
• a: 14.8417 ± 0.0007 Å
• b: 21.4036 ± 0.0011 Å
• c: 17.0192 ± 0.0009 Å
• α: 90°
• β: 97.829 ± 0.001°
• γ: 90°
• Cell volume: 5356 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No