Information card for entry 2225368

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato- κ<i>O</i>^1^)nickel(II)]-di-μ-aqua-[diaquasodium]-di-μ-aqua] tetrahydrate]
• Formula: C9 H24 N Na Ni O19
• Calculated formula: C9 H24 N Na Ni O19
• SMILES: C(=O)(c1cc(cc(c1C(=O)[O-])C(=O)O[Ni]([OH2])([OH2])([OH2])([OH2])[OH2])N(=O)=O)[O-].[Na+].O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato-κ<i>O</i>^1^)nickel(II)]-di-μ-aqua-[diaquasodium]-di-μ-aqua] tetrahydrate]
• Authors of publication: Tan, Zheng-De; Yi, Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m342
• a: 6.7005 ± 0.0006 Å
• b: 13.161 ± 0.004 Å
• c: 13.586 ± 0.004 Å
• α: 63.415 ± 0.006°
• β: 79.076 ± 0.006°
• γ: 81.857 ± 0.006°
• Cell volume: 1049.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes