Information card for entry 1517005

Structure parameters

• Formula: C48 H54 N4 Ni
• Calculated formula: C48 H54 N4 Ni
• SMILES: [Ni]12(N(C(=Cc3[n]1c1c(cc3)cccc1)C)c1c(cccc1C(C)C)C(C)C)N(C(=Cc1[n]2c2c(cc1)cccc2)C)c1c(cccc1C(C)C)C(C)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: 10.7602 ± 0.0002 Å
• b: 11.3696 ± 0.0003 Å
• c: 18.8522 ± 0.0003 Å
• α: 83.913 ± 0.001°
• β: 86.422 ± 0.001°
• γ: 65.77 ± 0.001°
• Cell volume: 2090.87 ± 0.08 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No