Information card for entry 7116901

Structure parameters

• Formula: C32 H39 Br2 Cl2 N3 Ni
• Calculated formula: C32 H39 Br2 Cl2 N3 Ni
• 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: 9.787 ± 0.0006 Å
• b: 26.3927 ± 0.0017 Å
• c: 13.7739 ± 0.0008 Å
• α: 90°
• β: 108.906 ± 0.003°
• γ: 90°
• Cell volume: 3365.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No