Information card for entry 2216806

Structure parameters

• Chemical name: 4,4'-Bipyridindiium triaquabis(pyridine-2,6-dicarboxylato)strontium(II) trihydrate
• Formula: C24 H28 N4 O14 Sr
• Calculated formula: C24 H28 N4 O14 Sr
• SMILES: [Sr]1234([OH2])([OH2])([OH2])(OC(=O)c5[n]1c(C(=O)O2)ccc5)OC(=O)c1[n]3c(ccc1)C(=O)O4.O.O.O.[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: 4,4'-Bipyridinediium triaquabis(pyridine-2,6-dicarboxylato)strontium(II) trihydrate
• Authors of publication: Soleimannejad, Janet; Aghabozorg, Hossein; Shabnam Hooshman; Adams, Harry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3089 - m3090
• a: 6.9994 ± 0.0001 Å
• b: 11.6876 ± 0.0002 Å
• c: 17.9748 ± 0.0003 Å
• α: 104.12 ± 0.001°
• β: 100.975 ± 0.001°
• γ: 95.901 ± 0.001°
• Cell volume: 1382.63 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes