Information card for entry 7114897

Structure parameters

• Formula: C20 H28 N4 Ni O4
• Calculated formula: C20 H28 N4 Ni O4
• SMILES: [Ni]123(Oc4ccccc4C=[N]1O)(Oc1ccccc1C=[N]2O)[N](CC[N]3(C)C)(C)C
• Title of publication: Formation of folded complexes retaining intramolecular H-bonding in the extraction of nickel(ii) by phenolic oxime and aliphatic diamine ligands
• Authors of publication: Hultgren (née Jones), Victoria M.; Beddoes, Roy L.; Collison, David; Helliwell, Madeleine; Atkinson, Ian M.; Garner, C. David; Lindoy, Leonard F.; Tasker, Peter A.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 573
• a: 9.529 ± 0.002 Å
• b: 14.329 ± 0.003 Å
• c: 15.944 ± 0.004 Å
• α: 90°
• β: 97.14 ± 0.02°
• γ: 90°
• Cell volume: 2160.1 ± 0.8 ų
• Cell temperature: 294.2 K
• Ambient diffraction temperature: 294.2 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 all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.0674
• Goodness-of-fit parameter for all reflections: 2.074
• Goodness-of-fit parameter for significantly intense reflections: 2.209
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No