Information card for entry 2228330

Structure parameters

• Chemical name: Poly[μ~2~-aqua-diaqua(μ~8~-3-nitrobenzene-1,2-dicarboxylato)(μ~6~-3- nitrobenzene-1,2-dicarboxylato)tetrasodium]
• Formula: C16 H12 N2 Na4 O15
• Calculated formula: C16 H12 N2 Na4 O15
• SMILES: C([O-])(=O)c1c(c(ccc1)N(=O)=O)C([O-])=O.[Na+].[Na+].O.O
• Title of publication: Poly[μ~2~-aqua-diaqua(μ~8~-3-nitrobenzene-1,2-dicarboxylato)(μ~6~-3-nitrobenzene-1,2-dicarboxylato)tetrasodium]
• Authors of publication: Shuai, Qi; Di, You-Ying; Li, Ze-Bo; Li, Lei; He, Dong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1509 - m1510
• a: 6.6871 ± 0.0008 Å
• b: 10.6193 ± 0.0015 Å
• c: 14.582 ± 0.002 Å
• α: 82.065 ± 0.001°
• β: 83.428 ± 0.001°
• γ: 89.371 ± 0.002°
• Cell volume: 1018.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes