Information card for entry 2232846

Structure parameters

• Chemical name: Poly[tetraaqua(μ~8~-butane-1,2,3,4-tetracarboxylato)distrontium]
• Formula: C8 H14 O12 Sr2
• Calculated formula: C8 H14 O12 Sr2
• SMILES: C(=O)([C@H](CC(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-])[O-].O.O.[Sr+2].O.O.[Sr+2]
• Title of publication: Poly[tetraaqua(μ~8~-butane-1,2,3,4-tetracarboxylato)distrontium]
• Authors of publication: Cheng, Pei-Chi; Zhan, Jun-Xiang; Wu, Cheng-You; Lin, Chia-Her
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1700
• a: 8.7085 ± 0.0004 Å
• b: 7.9671 ± 0.0004 Å
• c: 10.0697 ± 0.0004 Å
• α: 90°
• β: 95.409 ± 0.002°
• γ: 90°
• Cell volume: 695.54 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes