Information card for entry 7116900

Structure parameters

• Common name: compound 1
• Chemical name: Ni(L1)Cl2
• Formula: C31 H39 Cl2 N3 Ni
• Calculated formula: C31 H39 Cl2 N3 Ni
• SMILES: [Ni]12(Cl)(Cl)[n]3c(cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)C=[N]2c1c(C(C)C)cccc1C(C)C
• Title of publication: The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand
• Authors of publication: Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6496
• a: 13.6222 ± 0.0007 Å
• b: 14.2676 ± 0.0008 Å
• c: 15.7854 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3068 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No