Information card for entry 2021714

Structure parameters

• Chemical name: Poly[[diaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)strontium] monohydrate]
• Formula: C4 H6 O7 Sr
• Calculated formula: C4 H6 O7 Sr
• SMILES: C1(=C([O-])C(=O)C1=O)[O-].[Sr+2].O.O.O
• Title of publication: New barium, strontium and strontium-doped barium squarates: synthesis, crystal structures and DNA/BSA binding, antioxidant and <i>in vitro</i> cytotoxicity studies
• Authors of publication: Priya Vadhana, K. T.; Parveen, S.; Ushadevi, B.; Selvakumar, R.; Sangeetha, S.; Vairam, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• a: 6.0313 ± 0.0002 Å
• b: 7.7677 ± 0.0003 Å
• c: 8.6375 ± 0.0003 Å
• α: 101.27 ± 0.002°
• β: 94.952 ± 0.002°
• γ: 111.578 ± 0.002°
• Cell volume: 363.45 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0215
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes