Information card for entry 1512766

Structure parameters

• Formula: C19 H19 N3 O5 Zn
• Calculated formula: C19 H19 N3 O5 Zn
• SMILES: [Zn]1(OC(=[O]1)c1ccc(cc1)N)(OC(=O)c1ccc(cc1)N)([n]1ccccc1)[OH2]
• Title of publication: Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid
• Authors of publication: Nithi Phukan; Jubaraj B. Baruah
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 430 - 435
• a: 6.8027 ± 0.0004 Å
• b: 27.7694 ± 0.0017 Å
• c: 10.3788 ± 0.0006 Å
• α: 90°
• β: 96.079 ± 0.003°
• γ: 90°
• Cell volume: 1949.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No