Information card for entry 2220072

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquabis(2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5- carbonitrile)copper(II)]-μ-sulfato] tetrahydrate]
• Formula: C24 H30 Cu N6 O12 S
• Calculated formula: C24 H30 Cu N6 O12 S
• SMILES: [Cu]([OH2])([OH2])([n]1ccc(cc1)c1cc(c(=O)[nH]c1C)C#N)([n]1ccc(cc1)c1cc(c(=O)[nH]c1C)C#N)OS(=O)(=O)O[Cu](OS(=O)(=O)[O-])([OH2])([OH2])([n]1ccc(cc1)c1cc(c(=O)[nH]c1C)C#N)[n]1ccc(cc1)c1cc(c(=O)[nH]c1C)C#N.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquabis(2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile)copper(II)]-μ-sulfato] tetrahydrate]
• Authors of publication: Niu, Cao-Yuan; Ning, Ai-Min; Feng, Chao-Ling; Dang, Yu-Li; Kou, Chun-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1616 - m1617
• a: 21.672 ± 0.003 Å
• b: 6.8533 ± 0.0008 Å
• c: 19.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.7 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0912
• 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