Information card for entry 1516994

Structure parameters

• Formula: C54 H44 Cl4 Li4 N4 O4
• Calculated formula: C54 H40 Cl4 Li4 N4 O4
• SMILES: [Li]123[O]4(C(=Cc5[n]1cccc5)c5ccccc5)[Li]15[O]6(C(=Cc7[n]8cccc7)c7ccccc7)[Li]7([O]2(C(=Cc2[n]7cccc2)c2ccccc2)[Li]468)[O]13C(=Cc1[n]5cccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn
• Authors of publication: Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 401
• Pages of publication: 38 - 49
• a: 11.012 ± 0.0004 Å
• b: 15.932 ± 0.0009 Å
• c: 17.0779 ± 0.0009 Å
• α: 107.968 ± 0.002°
• β: 99.26 ± 0.003°
• γ: 109.543 ± 0.003°
• Cell volume: 2566.7 ± 0.2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No