Information card for entry 2228072

Structure parameters

• Chemical name: Bis[2-(4-benzoyloxy-2-hydroxybenzoyl)-1-phenylethenolato]diethanolzinc(II)
• Formula: C48 H42 O12 Zn
• Calculated formula: C48 H42 O12 Zn
• SMILES: c1ccc(cc1)C(=O)Oc1ccc(c(O)c1)C1=CC(=[O][Zn]2(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1O)([OH]CC)[OH]CC)c1ccccc1
• Title of publication: Bis[2-(4-benzoyloxy-2-hydroxybenzoyl)-1-phenylethenolato]diethanolzinc(II)
• Authors of publication: Dong, Kai; Sun, Juan; Ruan, Ban-Feng; Gong, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1290
• a: 7.17 ± 0.005 Å
• b: 9.399 ± 0.005 Å
• c: 16.457 ± 0.005 Å
• α: 106.59 ± 0.005°
• β: 95.596 ± 0.005°
• γ: 90.989 ± 0.005°
• Cell volume: 1056.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes