Information card for entry 7013798

Structure parameters

• Formula: C48 H62 Li2 N4 O2
• Calculated formula: C48 H62 Li2 N4 O2
• SMILES: [Li]123[N](=C(C=C([N]41[Li]1([O](c5c4cccc5)C)[N](=C(C=C([N]21c1c(cccc1)[O]3C)C)C)c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Magnesium and zinc complexes of a potentially tridentate beta-diketiminate ligand.
• Authors of publication: Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 570 - 578
• a: 20.8408 ± 0.0006 Å
• b: 8.5688 ± 0.0004 Å
• c: 26.0002 ± 0.0011 Å
• α: 90°
• β: 106.256 ± 0.003°
• γ: 90°
• Cell volume: 4457.5 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections: 0.1528
• Weighted residual factors for significantly intense reflections: 0.1303
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No