Information card for entry 1517007

Structure parameters

• Formula: C51 H44 Cl2 N4 Zn
• Calculated formula: C51 H44 Cl2 N4 Zn
• SMILES: [Zn]12(N(C(=Cc3[n]1c1c(cc3)cccc1)c1ccccc1)c1c(cccc1C)C)N(C(=Cc1[n]2c2c(cc1)cccc2)c1ccccc1)c1c(cccc1C)C.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: 10.2526 ± 0.0002 Å
• b: 22.0749 ± 0.0004 Å
• c: 38.2732 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8662.2 ± 0.3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No