Information card for entry 2019543

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua{bis[(pyridin-2-yl)methyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}nickel(II)]-μ-2-(2-carboxylatophenyl)aceteto-κ^2^<i>O</i>:<i>O</i>']
• Formula: C21 H21 N3 Ni O5
• Calculated formula: C21 H21 N3 Ni O5
• SMILES: [Ni]12([n]3ccccc3C[NH]1Cc1[n]2cccc1)(OC(=O)c1ccccc1CC(=O)[O-])([OH2])OC(=O)Cc1c(cccc1)C(=O)O[Ni]12([n]3ccccc3C[NH]1Cc1[n]2cccc1)[OH2]
• Title of publication: Two nickel(II) bis[(pyridin-2-yl)methyl]amine complexes with homophthalic and benzene-1,2,4,5-tetracarboxylic acids
• Authors of publication: Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 541 - 546
• a: 18.233 ± 0.003 Å
• b: 10.4511 ± 0.0014 Å
• c: 20.898 ± 0.003 Å
• α: 90°
• β: 93.081 ± 0.002°
• γ: 90°
• Cell volume: 3976.5 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.434
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes