Information card for entry 7008505

Structure parameters

• Formula: C27 H25 N3 Ni O3
• Calculated formula: C27 H25 N3 Ni O3
• SMILES: [Ni]123N(C(=O)[C@H]4[N]2(CCC4)Cc2ccccc2)c2c(C(=[N]1CC(=O)O3)c1ccccc1)cccc2
• 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: 9.044 ± 0.001 Å
• b: 9.722 ± 0.001 Å
• c: 26.445 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2325.2 ± 0.6 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: 0.1141
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No