Information card for entry 2221127

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(diphenylacetato)zinc(II)]-μ-4,4'-bipyridine]
• Formula: C38 H34 N2 O6 Zn
• Calculated formula: C38 H34 N2 O6 Zn
• SMILES: n1ccc(cc1)c1cc[n](cc1)[Zn](OC(=O)C(c1ccccc1)c1ccccc1)([OH2])([OH2])(OC(=O)C(c1ccccc1)c1ccccc1)[n]1ccc(cc1)c1cc[n](cc1)[Zn](OC(=O)C(c1ccccc1)c1ccccc1)(OC(=O)C(c1ccccc1)c1ccccc1)([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquabis(diphenylacetato)zinc(II)]-μ-4,4'-bipyridine]
• Authors of publication: Yu, Shan-Shan; Zhou, Hong; Xian, Hua; Tian, Zheng-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m285
• a: 5.7536 ± 0.0013 Å
• b: 11.882 ± 0.003 Å
• c: 12.229 ± 0.003 Å
• α: 98.522 ± 0.004°
• β: 103.273 ± 0.005°
• γ: 103.45 ± 0.004°
• Cell volume: 773.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes