Information card for entry 2218661

Structure parameters

• Chemical name: Poly[[diaqua-μ~4~-pyrazine-2,3-dicarboxylato- κ^6^N,O^2^:O^2'^:O^3^,O^3'^:O^3^-strontium(II)] monohydrate]
• Formula: C6 H8 N2 O7 Sr
• Calculated formula: C6 H8 N2 O7 Sr
• SMILES: [Sr]([OH2])[OH2].n1c(c(ncc1)C(=O)[O-])C(=O)[O-].O
• Title of publication: Poly[[diaqua-μ~4~-pyrazine-2,3-dicarboxylato-κ^6^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3^-strontium(II)] monohydrate]
• Authors of publication: Abedi, Anita; Mousavi Mirkolaei, Maryam; Amani, Vahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m888 - m889
• a: 10.4931 ± 0.0007 Å
• b: 6.9839 ± 0.0004 Å
• c: 13.5208 ± 0.0008 Å
• α: 90°
• β: 94.267 ± 0.001°
• γ: 90°
• Cell volume: 988.1 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes