Information card for entry 2221859

Structure parameters

• Chemical name: Bis[μ-2-(2-naphthoxy)acetato]bis{aqua[2-(2-naphthoxy)acetato]zinc(II)}
• Formula: C48 H40 O14 Zn2
• Calculated formula: C48 H40 O14 Zn2
• SMILES: c1c(cc2c(c1)cccc2)OCC1=[O][Zn](OC(=[O][Zn](O1)(OC(=O)COc1cc2ccccc2cc1)[OH2])COc1ccc2ccccc2c1)(OC(=O)COc1cc2ccccc2cc1)[OH2]
• Title of publication: Bis[μ-2-(2-naphthoxy)acetato]bis{aqua[2-(2-naphthoxy)acetato]zinc(II)}
• Authors of publication: Chen, Fang-Jun; Xu, Hai; Xu, Hui; Huang, Ke-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m540
• a: 5.3241 ± 0.0005 Å
• b: 9.2189 ± 0.001 Å
• c: 20.722 ± 0.002 Å
• α: 86.055 ± 0.006°
• β: 89.351 ± 0.006°
• γ: 89.277 ± 0.006°
• Cell volume: 1014.54 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes