Information card for entry 2220295

Structure parameters

• Chemical name: Poly[[triaqua[μ~4~-N-(4-carboxylatophenyl)iminodiacetato]sodium(I)zinc(II)] dihydrate]
• Formula: C22 H36 N2 Na2 O22 Zn2
• Calculated formula: C22 H36 N2 Na2 O22 Zn2
• SMILES: [Zn]12([OH2])OC(=O)CN(CC(=O)O1)c1ccc(cc1)C(=O)O[Zn]1([OH2])OC(=O)CN(CC(=O)O1)c1ccc(cc1)C(=O)O2.[Na+].O.O.O.O.[Na+].O.O.O.O
• Title of publication: Poly[[triaqua[μ~4~-<i>N</i>-(4-carboxylatophenyl)iminodiacetato]sodium(I)zinc(II)] dihydrate]
• Authors of publication: Ma, Dong-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1523
• a: 7.925 ± 0.004 Å
• b: 8.989 ± 0.006 Å
• c: 11.726 ± 0.006 Å
• α: 96.28 ± 0.03°
• β: 98.63 ± 0.02°
• γ: 98.97 ± 0.02°
• Cell volume: 808.2 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes