Information card for entry 1517001

Structure parameters

• Formula: C34 H24 N2 O2 Zn
• Calculated formula: C34 H24 N2 O2 Zn
• SMILES: [Zn]12(OC(=Cc3[n]1c1ccccc1cc3)c1ccccc1)OC(=Cc1[n]2c2c(cc1)cccc2)c1ccccc1
• 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: 24.746 ± 0.0003 Å
• b: 8.6601 ± 0.0003 Å
• c: 12.2225 ± 0.0004 Å
• α: 90°
• β: 104.566 ± 0.002°
• γ: 90°
• Cell volume: 2535.13 ± 0.13 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No