Information card for entry 7027774

Structure parameters

• Formula: C52 H82 Li4 N4 Na2 O10
• Calculated formula: C52 H78 Li4 N4 Na2 O10
• SMILES: [Li]123[N]4(c5ccccc5[O]1C)[Li]15[N]2(c2ccccc2[O]1C)[Na]1([O]2CCCC2)([O]2CCCC2)[O]5(C(C)(C)C)[Li]25[N]1(c1ccccc1[O]2C)[Li]12[N]5(c5ccccc5[O]1C)[Na]4([O]1CCCC1)([O]1CCCC1)[O]23C(C)(C)C
• Title of publication: Model for a superbase: synthesis and crystal structure of the mixed-metal/mixed-anion aggregate [NaLi2{N(H)R}2(OR′)]2†
• Authors of publication: Holland, Rebecca; Jeffery, John C.; Russell, Christopher A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3331
• a: 9.169 ± 0.004 Å
• b: 13.666 ± 0.005 Å
• c: 22.173 ± 0.01 Å
• α: 90°
• β: 93.05 ± 0.03°
• γ: 90°
• Cell volume: 2774 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections: 0.3471
• Weighted residual factors for significantly intense reflections: 0.3322
• Goodness-of-fit parameter for all reflections: 1.236
• Goodness-of-fit parameter for significantly intense reflections: 1.442
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No