Information card for entry 2225067

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(5-nitrobenzene-1,2,3-tricarboxylato- κ<i>O</i>^1^)copper(II)]-di-μ-aqua-[diaquasodium]-di-μ-aqua] tetrahydrate]
• Formula: C9 H24 Cu N Na O19
• Calculated formula: C9 H24 Cu N Na O19
• SMILES: [Cu](OC(=O)c1c(c(cc(N(=O)=O)c1)C(=O)[O-])C(=O)[O-])([OH2])([OH2])([OH2])([OH2])[OH2].[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^)copper(II)]-di-μ-aqua-[diaquasodium]-di-μ-aqua] tetrahydrate]
• Authors of publication: Ding, Yong-Jie; Zhao, Chun-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m132 - m133
• a: 6.648 ± 0.0013 Å
• b: 13.124 ± 0.003 Å
• c: 13.531 ± 0.003 Å
• α: 63.46 ± 0.03°
• β: 79.17 ± 0.04°
• γ: 82.13 ± 0.03°
• Cell volume: 1035.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes