Information card for entry 7008503

Structure parameters

• Formula: C28 H27 N3 Ni O4
• Calculated formula: C28 H27 N3 Ni O4
• Title of publication: Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.
• Authors of publication: Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 2312 - 2321
• a: 9.564 ± 0.002 Å
• b: 10.115 ± 0.001 Å
• c: 25.5 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No