Information card for entry 2022314

Structure parameters

• Chemical name: Poly[aqua(μ~8~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^12^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4'^,<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5'^)strontium(II)]
• Formula: C12 H8 O14 Sr2
• Calculated formula: C12 H8 O14 Sr2
• SMILES: C(=O)(c1cc(c(C(=O)[O-])cc1C(=O)O)C(=O)O)[O-].[Sr+2].O=C(C(=O)[O-])[O-].O.O.[Sr+2]
• 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: 7.0691 ± 0.0011 Å
• b: 7.8482 ± 0.0012 Å
• c: 7.9767 ± 0.0012 Å
• α: 99.938 ± 0.007°
• β: 107.918 ± 0.006°
• γ: 101.824 ± 0.006°
• Cell volume: 398.74 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0142
• Residual factor for significantly intense reflections: 0.0134
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes