Information card for entry 2234444

Structure parameters

• Chemical name: Poly[[μ~10~-4,4'-(ethane-1,2-diyldioxy)dibenzoato]dipotassium]
• Formula: C16 H12 K2 O6
• Calculated formula: C16 H12 K2 O6
• SMILES: [K+].[K+].[O-]C(=O)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)[O-]
• Title of publication: Poly[[μ~10~-4,4'-(ethane-1,2-diyldioxy)dibenzoato]dipotassium]
• Authors of publication: Ma, Zhen; Liang, Baohuan; Lu, Wanbing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m370
• a: 18.0696 ± 0.0007 Å
• b: 3.9866 ± 0.0001 Å
• c: 11.3189 ± 0.0005 Å
• α: 90°
• β: 107.188 ± 0.002°
• γ: 90°
• Cell volume: 778.96 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes