Information card for entry 4349047

Structure parameters

• Common name: [(i-Pr-PyMa)Ni(Mes)Br]
• Formula: C27 H33 Br N2 Ni
• Calculated formula: C27 H33 Br N2 Ni
• SMILES: Br[Ni]1([n]2c(C=[N]1c1c(C(C)C)cccc1C(C)C)cccc2)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: 10.8322 ± 0.001 Å
• b: 15.9854 ± 0.001 Å
• c: 14.4541 ± 0.0007 Å
• α: 90°
• β: 90.793 ± 0.004°
• γ: 90°
• Cell volume: 2502.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1046
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No