Information card for entry 2014107

Structure parameters

• Formula: C28 H28 Cu2 N4 O8
• Calculated formula: C28 H28 Cu2 N4 O8
• SMILES: [Cu]([OH2])([n]1ccc(cc1)c1ccncc1)[n]1ccc(c2cc[n]([Cu][OH2])cc2)cc1.O.O.O=C([O-])c1ccc(C(=O)[O-])cc1
• Title of publication: <i>catena</i>-Poly[[[aquacopper(I)]-μ-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>'] hemi(isophthalate) monohydrate]
• Authors of publication: Yi-Hang Wen; Ye-Yan Qin; Jian Zhang; Zhao-Ji Li; Jian-Kai Cheng; Yao Kang; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m371 - m372
• a: 21.6096 ± 0.0008 Å
• b: 7.216 ± 0.0002 Å
• c: 17.6529 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2752.7 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes