Information card for entry 1517004

Structure parameters

• Formula: C42 H38 N4 Ni
• Calculated formula: C42 H38 N4 Ni
• SMILES: [Ni]12(N(C(=Cc3[n]1cccc3)c1ccccc1)c1c(cccc1C)C)N(C(=Cc1[n]2cccc1)c1ccccc1)c1c(cccc1C)C
• 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: 10.2332 ± 0.0002 Å
• b: 16.385 ± 0.0003 Å
• c: 20.2217 ± 0.0003 Å
• α: 90°
• β: 91.977 ± 0.002°
• γ: 90°
• Cell volume: 3388.57 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No