Information card for entry 2233424

Structure parameters

• Chemical name: <i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)nickel(II) bis(3-hydroxybenzoate) tetrahydrate
• Formula: C26 H38 N4 Ni O16
• Calculated formula: C26 H38 N4 Ni O16
• SMILES: C(=O)(c1cc(O)ccc1)[O-].c1cc(cc[n]1[Ni]([OH2])([OH2])([n]1ccc(cc1)C(=O)N)([OH2])[OH2])C(=O)N.O.O.C(=O)(c1cc(ccc1)O)[O-].O.O
• Title of publication: <i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)nickel(II) bis(3-hydroxybenzoate) tetrahydrate
• Authors of publication: Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m200 - m201
• a: 6.6884 ± 0.0003 Å
• b: 16.9271 ± 0.0005 Å
• c: 13.5543 ± 0.0004 Å
• α: 90°
• β: 100.186 ± 0.003°
• γ: 90°
• Cell volume: 1510.37 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes