Information card for entry 2020818

Structure parameters

• Chemical name: Poly[aqua(μ~12~-benzene-1,2,4,5-tetracarboxylato)distrontium(II)]
• Formula: C10 H4 O9 Sr2
• Calculated formula: C10 H4 O9 Sr2
• SMILES: [Sr+2].[Sr+2].[O-]C(=O)c1c(C(=O)[O-])cc(C(=O)[O-])c(c1)C(=O)[O-].O
• Title of publication: A novel three-dimensional Sr^II^ coordination polymer based on benzene-1,2,4,5-tetracarboxylate: hydrothermal synthesis, crystal structure and spectroscopic and thermal studies
• Authors of publication: Trifa, Chahrazed; Mokhtari, Samia; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 369 - 375
• a: 8.1694 ± 0.0003 Å
• b: 17.2478 ± 0.0005 Å
• c: 7.7689 ± 0.0002 Å
• α: 90°
• β: 97.521 ± 0.001°
• γ: 90°
• Cell volume: 1085.25 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes