Information card for entry 7053491

Structure parameters

• Formula: C46 H70 Li8 N8 O7
• Calculated formula: C46 H70 Li8 N8 O7
• SMILES: [Li]1([N]23CCCC=C2[O]([Li]24[O]5678[Li]([O](C9=CCCC[N]129)C)[N]12CCCC=C1[O](C)([Li]6[O](C1=CCCC[N]61[Li]15[O]4(C4=CCCC[N]14[Li]7[O](C1=CCCC[N]1[Li]6[n]1ccccc1)C)C)C)[Li]382)C)[n]1ccccc1
• 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: 10.745 ± 0.002 Å
• b: 11.472 ± 0.002 Å
• c: 12.207 ± 0.002 Å
• α: 69.4 ± 0.03°
• β: 64.82 ± 0.03°
• γ: 82.48 ± 0.03°
• Cell volume: 1274.3 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No