Information card for entry 4349044

Structure parameters

• Common name: [(PyMa)Ni(Mes)Cl]
• Formula: C21 H21 Cl N2 Ni
• Calculated formula: C21 H21 Cl N2 Ni
• SMILES: [Ni]1([N](=Cc2[n]1cccc2)c1ccccc1)(Cl)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: 23.189 ± 0.003 Å
• b: 23.189 ± 0.003 Å
• c: 20.121 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9370 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.2137
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.73
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No