Information card for entry 1516993

Structure parameters

• Formula: C29.5 H31 Cl N2
• Calculated formula: C29.5 H31 Cl N2
• SMILES: N(\C(=C/c1nc2ccccc2cc1)c1ccccc1)c1c(cccc1C(C)C)C(C)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: 11.3408 ± 0.0005 Å
• b: 18.7613 ± 0.0008 Å
• c: 12.489 ± 0.0003 Å
• α: 90°
• β: 105.247 ± 0.002°
• γ: 90°
• Cell volume: 2563.73 ± 0.17 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No