Information card for entry 2229761

Structure parameters

• Chemical name: Tetraaquabis[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetato]zinc
• Formula: C18 H20 N2 O12 Zn
• Calculated formula: C18 H20 N2 O12 Zn
• SMILES: [OH2][Zn](OC(=O)CN1C(=O)Oc2c1cccc2)(OC(=O)CN1C(=O)Oc2c1cccc2)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetato]zinc
• Authors of publication: Ashurov, Jamshid; Karimova, Gavhar; Mukhamedov, Nasir; Parpiev, Nusrat A.; Ibragimov, Bakhtijar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m432
• a: 6.144 ± 0.003 Å
• b: 5.342 ± 0.001 Å
• c: 30.595 ± 0.002 Å
• α: 90°
• β: 94.8 ± 0.05°
• γ: 90°
• Cell volume: 1000.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes