Information card for entry 2207913

Structure parameters

• Common name: trans-bis(α-benzyldibenzoylmethanato)di(pyridine)nickel(II)
• Chemical name: trans-bis(2-benzyl-1,3-diphenylpropane-1,3-dionato)dipyridinenickel(II)
• Formula: C54 H44 N2 Ni O4
• Calculated formula: C54 H44 N2 Ni O4
• Title of publication: Weak intermolecular hydrogen bonding in the pyridine adduct of a nickel(II) complex with a sterically demanding β-diketonate ligand
• Authors of publication: Nenad Judas̆; Branko Kaitner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m58 - m60
• a: 10.8449 ± 0.0011 Å
• b: 15.2308 ± 0.0016 Å
• c: 26.77 ± 0.002 Å
• α: 90°
• β: 97.9 ± 0.008°
• γ: 90°
• Cell volume: 4379.8 ± 0.7 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes