Information card for entry 2213362

Structure parameters

• Chemical name: Bis[1,3-dihydroxy-2-hydroxymethyl-2-(5-nitro-2-oxidobenzylideneamino)propane- κ^3^<i>N</i>,<i>O</i>,<i>O</i>']zinc(II) trihydrate
• Formula: C22 H32 N4 O15 Zn
• Calculated formula: C22 H32 N4 O15 Zn
• SMILES: [Zn]1234(Oc5ccc(N(=O)=O)cc5C=[N]3C(C[OH]1)(CO)CO)Oc1ccc(N(=O)=O)cc1C=[N]4C(C[OH]2)(CO)CO.O.O.O
• Title of publication: Bis[1,3-dihydroxy-2-hydroxymethyl-2-(5-nitro-2-oxidobenzylideneamino)propane-κ^3^<i>N</i>,<i>O</i>,<i>O</i>']zinc(II) trihydrate
• Authors of publication: Ali, Hapipah M.; Puvaneswary, Subramaniam; Wan Jefrey, Basirun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1532 - m1532
• a: 10.7231 ± 0.0002 Å
• b: 11.7429 ± 0.0002 Å
• c: 21.7538 ± 0.0003 Å
• α: 90°
• β: 100.227 ± 0.001°
• γ: 90°
• Cell volume: 2695.72 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.026
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes