Information card for entry 2208169

Structure parameters

• Chemical name: Poly[[tetra-μ~2~-aqua-diaqua-μ~2~-2,5-dibenzoylterephthalato dipotassium(I)] dihydrate]
• Formula: C22 H28 K2 O14
• Calculated formula: C22 H28 K2 O14
• SMILES: [K+].O=C(c1cc(c(C(=O)[O-])cc1C(=O)c1ccccc1)C(=O)c1ccccc1)[O-].O.O.O.O.[K+].O.O.O.O
• Title of publication: Poly[[tetra-μ~2~-aqua-diaqua-μ~2~-2,5-dibenzoylterephthalatodipotassium(I)] dihydrate]
• Authors of publication: Wang, Dan-Dan; Zhu, Hong-Jun; Shan, Ning; Song, Guang-Liang; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m201 - m203
• a: 6.153 ± 0.002 Å
• b: 8.455 ± 0.003 Å
• c: 13.769 ± 0.004 Å
• α: 69.441 ± 0.011°
• β: 79.673 ± 0.013°
• γ: 87.265 ± 0.014°
• Cell volume: 659.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes