Information card for entry 2225813

Structure parameters

• Chemical name: Tetraaquabis[4-(methylamino)benzoato-κ<i>O</i>]nickel(II)
• Formula: C16 H24 N2 Ni O8
• Calculated formula: C16 H24 N2 Ni O8
• SMILES: C(=O)(c1ccc(cc1)NC)O[Ni]([OH2])(OC(=O)c1ccc(cc1)NC)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[4-(methylamino)benzoato-κ<i>O</i>]nickel(II)
• Authors of publication: Necefoğlu, Hacali; Aybirdi, Özgür; Tercan, Barış; Süzen, Yasemin; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m585 - m586
• a: 7.5466 ± 0.0002 Å
• b: 6.1811 ± 0.0002 Å
• c: 19.4802 ± 0.0003 Å
• α: 90°
• β: 98.628 ± 0.003°
• γ: 90°
• Cell volume: 898.4 ± 0.04 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: 0.0248
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes