Information card for entry 4349048

Structure parameters

• Common name: 4NO2-PyMA
• Formula: C12 H9 N3 O2
• Calculated formula: C12 H9 N3 O2
• SMILES: N(=C\c1ncccc1)/c1ccc(cc1)N(=O)=O
• Title of publication: Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?
• Authors of publication: Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12716 - 12727
• a: 3.8588 ± 0.0006 Å
• b: 20.329 ± 0.003 Å
• c: 13.632 ± 0.002 Å
• α: 90°
• β: 89.554 ± 0.014°
• γ: 90°
• Cell volume: 1069.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1723
• Residual factor for significantly intense reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.3013
• Weighted residual factors for all reflections included in the refinement: 0.3831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No