Information card for entry 7028104

Structure parameters

• Formula: C52 H108 Li6 N8 O
• Calculated formula: C52 H108 Li6 N8 O
• SMILES: [O]12345[Li]67[N]8([Li]92[N]6(=C8CCCC)([Li]23N9(=C([N]2([Li]21[N]1([Li]35[N]2(=C1CCCC)([Li]14N3(=C([N]71C(C)(C)C)CCCC)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCCC)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A sandwich complex of lithium oxide: {Li[Bu^n^C(NBu^t^)~2~]}~4~×Li~2~O
• Authors of publication: Chivers, Tristram; Downard, Andrew; Yap, Glenn P. A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 16
• Pages of publication: 2603
• a: 10.137 ± 0.003 Å
• b: 14.205 ± 0.004 Å
• c: 21.961 ± 0.006 Å
• α: 91.718 ± 0.005°
• β: 103.207 ± 0.005°
• γ: 101.442 ± 0.005°
• Cell volume: 3008.1 ± 1.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1711
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No