Information card for entry 2022313

Structure parameters

• Chemical name: Poly[aqua(μ~6~-benzene-1,2,4,5-tetracarboxylic acid-κ^8^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^5'^)(μ-but-2-enedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)potassium(I)]
• Formula: C14 H12 K2 O14
• Calculated formula: C14 H12 K2 O14
• SMILES: C(=O)(c1c(C(=O)O)cc(C(=O)O)c(c1)C(=O)O)O.C(=O)(/C=C/C(=O)[O-])[O-].[K+].O.[K+].O
• Title of publication: Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties
• Authors of publication: Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 90 - 99
• a: 8.3359 ± 0.0002 Å
• b: 17.0987 ± 0.0005 Å
• c: 6.5405 ± 0.0002 Å
• α: 90°
• β: 110.687 ± 0.002°
• γ: 90°
• Cell volume: 872.13 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes