Information card for entry 2227726

Structure parameters

• Chemical name: {3-Methyl-2-[(1-oxido-2-naphthyl)methylideneamino- κ^2^<i>O</i>,<i>N</i>]butanoato-κ<i>O</i>}(1<i>H</i>-pyrazole- κ<i>N</i>^2^)nickel(II)
• Formula: C19 H19 N3 Ni O3
• Calculated formula: C19 H19 N3 Ni O3
• SMILES: [Ni]12([N](Cc3c(ccc4ccccc34)O1)=C(C(=O)O2)C(C)C)[n]1[nH]ccc1
• Title of publication: {3-Methyl-2-[(1-oxido-2-naphthyl)methylideneamino-κ^2^<i>O</i>,<i>N</i>]butanoato-κ<i>O</i>}(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)
• Authors of publication: Peng, Qin-Long; Zhao, Gan-Qing; Chen, Li-Hua; Xue, Ling-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1127 - m1128
• a: 11.5089 ± 0.0011 Å
• b: 16.6194 ± 0.0016 Å
• c: 18.9934 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3632.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes