Information card for entry 7116903

Structure parameters

• Formula: C39 H47 Br N3 Ni O2
• Calculated formula: C39 H47 Br N3 Ni O2
• 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: 9.8908 ± 0.0013 Å
• b: 12.3807 ± 0.0014 Å
• c: 15.5767 ± 0.0018 Å
• α: 86.987 ± 0.003°
• β: 75.727 ± 0.005°
• γ: 85.167 ± 0.004°
• Cell volume: 1841 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No