Information card for entry 2023360

Structure parameters

• Chemical name: Poly[(μ-acetato)aqua(μ~4~-thiophene-2,5-dicarboxylato)cerium(III)]
• Formula: C8 H7 Ce O7 S
• Calculated formula: C8 H7 Ce O7 S
• Title of publication: Syntheses and crystal structures of the cerium-based coordination polymers poly[(acetic acid)bis(μ-5-carboxythiophene-2-carboxylato)bis(μ-thiophene-2,5-dicarboxylato)dicerium(III)] and poly[(μ-acetato)aqua(μ4-thiophene-2,5-dicarboxylato)cerium(III)]
• Authors of publication: Ruser, Niklas; Näther, Christian; Stock, Norbert
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 10.031 ± 0.0001 Å
• b: 14.6755 ± 0.0001 Å
• c: 7.6765 ± 0.0001 Å
• α: 90°
• β: 102.354 ± 0.001°
• γ: 90°
• Cell volume: 1103.89 ± 0.02 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0266
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No