Information card for entry 4349042

Structure parameters

• Common name: [(NO2-PyMa)Ni(Mes)Br]
• Chemical name: [(NO2-PyMa)Ni(Mes)Br]
• Formula: C21 H20 Br N3 Ni O2
• Calculated formula: C21 H20 Br N3 Ni O2
• SMILES: Br[Ni]1([N](=Cc2[n]1cccc2)c1ccc(N(=O)=O)cc1)c1c(cc(cc1C)C)C
• 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: 8.502 ± 0.0019 Å
• b: 15.4514 ± 0.0019 Å
• c: 15.738 ± 0.004 Å
• α: 90°
• β: 97.731 ± 0.019°
• γ: 90°
• Cell volume: 2048.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1714
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No