Information card for entry 1512767

Structure parameters

• Formula: C18 H32 N2 Ni O14
• Calculated formula: C18 H32 N2 Ni0.998 O14
• 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: 6.7822 ± 0.0003 Å
• b: 18.1737 ± 0.0009 Å
• c: 10.6188 ± 0.0005 Å
• α: 90°
• β: 97.332 ± 0.002°
• γ: 90°
• Cell volume: 1298.15 ± 0.11 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: 0.0385
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No