Information card for entry 2223845

Structure parameters

• Chemical name: (Propane-1,3-diammonium) bis(4-hydroxypyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc(II) 3.5-hydrate
• Formula: C17 H25 N4 O13.5 Zn
• Calculated formula: C17 H25 N4 O13.5 Zn
• SMILES: [Zn]1234(OC(=O)c5[n]2c(cc(O)c5)C(=O)O1)OC(=O)c1[n]4c(cc(O)c1)C(=O)O3.[NH3+]CCC[NH3+].O.O.O.O
• Title of publication: (Propane-1,3-diammonium) bis(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)zinc(II) 3.5-hydrate
• Authors of publication: Ghadermazi, Mohammad; Manteghi, Faranak; Aghabozorg, Hossein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1374 - m1375
• a: 11.853 ± 0.003 Å
• b: 12.633 ± 0.002 Å
• c: 15.333 ± 0.003 Å
• α: 90°
• β: 98.93 ± 0.03°
• γ: 90°
• Cell volume: 2268.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes