Information card for entry 7053494

Structure parameters

• Formula: C52 H116 K4 Li4 N12 O8
• Calculated formula: C52 H116 K4 Li4 N12 O8
• SMILES: [Li]12([O]345([Li]6([O]71([K]13[N](CC[N]1(C)C)(C)C)([K]1([N](CC[N]1(C)C)(C)C)[O]136([Li]5([O]2([K]24[N](CC[N]2(C)C)(C)C)([Li]71[N]1CCCC=C1OC)([K]13[N](CC[N]1(C)C)(C)C)C)[N]1C(OC)=CCCC1)C)C)[N]1CCCC=C1OC)C)[N]1C(OC)=CCCC1
• Title of publication: Homo- and heteroanionic alkali metal aza-enolate aggregates derived from o-methylvalerolactim ether
• Authors of publication: Andrews, Philip C.; Bull, Steven D.; Koutsaplis, Magdaline
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1678
• a: 19.661 ± 0.004 Å
• b: 21.434 ± 0.004 Å
• c: 17.18 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7240 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No