Information card for entry 2229696

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(2-fluorobenzoato- κ^2^<i>O</i>,<i>O</i>')strontium]-μ~3~-2-fluorobenzoato- κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>',<i>F</i>] monohydrate]
• Formula: C14 H14 F2 O7 Sr
• Calculated formula: C14 H14 F2 O7 Sr
• SMILES: [Sr]123([OH2])([OH2])(OC(=[O]1)c1ccccc1F)[O]=C(c1ccccc1F)[O]2[Sr]124([OH2])([OH2])(OC(=[O]1)c1ccccc1F)[O]3=C(c1ccccc1F)[O]2[Sr]12([OH2])([OH2])(OC(=[O]1)c1ccccc1F)[O]=C(c1ccccc1F)[O]24.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(2-fluorobenzoato-κ^2^<i>O</i>,<i>O</i>')strontium]-μ~3~-2-fluorobenzoato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>',<i>F</i>] monohydrate]
• Authors of publication: Jin, Zhu-Nian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m440
• a: 12.515 ± 0.003 Å
• b: 6.8232 ± 0.0014 Å
• c: 19.489 ± 0.004 Å
• α: 90°
• β: 93.71 ± 0.03°
• γ: 90°
• Cell volume: 1660.7 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes