Information card for entry 2219305

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacopper(II)]-{μ-4,4'-[1,4- phenylenebis(methyleneimino)]dibenzoato}] monohydrate]
• Formula: C22 H24 Cu N2 O7
• Calculated formula: C22 H24 Cu N2 O7
• SMILES: [Cu]1([OH2])([OH2])[O]=C(O1)c1ccccc1Nc1ccc(cc1)Nc1c(cccc1)C(=[O]1)O[Cu]12([OH2])([OH2])[O]=C(O2)c1ccccc1Nc1ccc(cc1)Nc1c(cccc1)C(=[O]1)O[Cu]1([OH2])([OH2]).O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacopper(II)]-{μ-4,4'-[1,4-phenylenebis(methyleneimino)]dibenzoato}] monohydrate]
• Authors of publication: Wang, Qiu-sheng; Ouyang, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1118
• a: 16.127 ± 0.006 Å
• b: 5.1535 ± 0.0017 Å
• c: 13.405 ± 0.008 Å
• α: 90°
• β: 92.76 ± 0.02°
• γ: 90°
• Cell volume: 1112.8 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes