Information card for entry 2019565

Structure parameters

• Chemical name: Poly[[diaquabis(μ~3~-2-carboxypyridine-2-carboxylato)bis(μ~4~-pyridine-2,6-dicarboxylato)tristrontium(II)] dihydrate]
• Formula: C28 H22 N4 O20 Sr3
• Calculated formula: C28 H22 N4 O20 Sr3
• SMILES: c1ccc(nc1C(=O)O)C(=O)[O-].c1(C(=O)[O-])nc(ccc1)C(=O)[O-].[Sr+2].O.O.[Sr+2].C(=O)(c1cccc(C(=O)[O-])n1)O.C(=O)([O-])c2nc(ccc2)C(=O)[O-].[Sr+2].O.O
• Title of publication: A new three-dimensional coordination polymer of Sr^II^ based on dipicolinic acid, with different coordination environments for Sr^II^
• Authors of publication: Soleimannejad, Janet; Derikvand, Zohreh; Koleiae, Farzaneh
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 613 - 616
• a: 10.3733 ± 0.0005 Å
• b: 9.1936 ± 0.0004 Å
• c: 18.4182 ± 0.0008 Å
• α: 90°
• β: 104.469 ± 0.001°
• γ: 90°
• Cell volume: 1700.8 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No