Information card for entry 2224515

Structure parameters

• Chemical name: Poly[[diaqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)strontium] monohydrate]
• Formula: C9 H10 N2 O7 Sr
• Calculated formula: C9 H10 N2 O7 Sr
• SMILES: [Sr]([OH2])[OH2].[O-]C(=O)c1cc2nc[nH]c2cc1C(=O)[O-].O
• Title of publication: Poly[[diaqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)strontium] monohydrate]
• Authors of publication: Song, Wen-Dong; Wang, Hao; Liu, Juan-Hua; Ma, Xiao-Tian; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1643 - m1644
• a: 6.909 ± 0.001 Å
• b: 7.093 ± 0.001 Å
• c: 13.037 ± 0.002 Å
• α: 80.86 ± 0.005°
• β: 83.974 ± 0.005°
• γ: 71.795 ± 0.004°
• Cell volume: 598.16 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes