Information card for entry 2243626

Structure parameters

• Common name: (Acetonitrile-κ<i>N</i>)[2,2'-(pyridine-2,6-diyl)bis(3,5-di-<i>p</i>-tolylpyrrolido-κ<i>N</i>)]nickel(II)
• Chemical name: (Acetonitrile-κ<i>N</i>){2,2'-(pyridine-2,6-diyl)bis[3,5-bis(4-methylphenyl)pyrrolido-κ<i>N</i>]}nickel(II)
• Formula: C49 H50 N4 Ni
• Calculated formula: C49 H50 N4 Ni
• Title of publication: Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
• Authors of publication: Dias, H. V. Rasika; Pramanik, Abhijit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1741 - 1747
• a: 11.2735 ± 0.0016 Å
• b: 14.1802 ± 0.0019 Å
• c: 14.688 ± 0.002 Å
• α: 67.162 ± 0.002°
• β: 68.881 ± 0.002°
• γ: 80.665 ± 0.002°
• Cell volume: 2017.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes