Information card for entry 2015983

Structure parameters

• Chemical name: poly[[aquastrontium(II)]-μ~6~-4-nitrobenzene-1,3-dicarboxylato- κ^7^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^3^:\ <i>O</i>^3^,<i>O</i>^4^:<i>O</i>^4^]
• Formula: C8 H5 N O7 Sr
• Calculated formula: C8 H5 N O7 Sr
• SMILES: [Sr][OH2].[O-]C(=O)c1c(N(=O)=O)ccc(C(=O)[O-])c1
• Title of publication: A novel two-dimensional layered framework built of strontium(II) with 4-nitrobenzene-1,3-dicarboxylic acid
• Authors of publication: Xiong, Li-Qin; Qi, Chuan-Min
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m246 - m248
• a: 11.0883 ± 0.0019 Å
• b: 26.405 ± 0.005 Å
• c: 6.801 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1991.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes