Information card for entry 2207999

Structure parameters

• Chemical name: catena-poly[[[di-μ-acetato-1κ^2^O:2κ^2^O'-bis[(acetato- κ^2^O,O')cadmium(II)]]-di-μ-4,4'-bipyridine-1κN:1'κN';2κN:2'κN'] monohydrate]
• Formula: C28 H30 Cd2 N4 O9
• Calculated formula: C28 H30 Cd2 N4 O9
• SMILES: [Cd]123([O]=C(O1)C)[O]=C(C)O[Cd]1([O]=C(O1)C)([O]=C(O2)C)[n]1ccc(cc1)c1cc[n](cc1)[Cd]12([O]=C(O[Cd]4([O]=C(O4)C)([n]4ccc(cc4)c4cc[n]3cc4)([n]3ccc(cc3)c3ccncc3)[O]=C(O2)C)C)([O]=C(O1)C)[n]1ccc(cc1)c1ccncc1.O.O
• Title of publication: <i>catena</i>-Poly[[[di-μ-acetato-1κ^2^<i>O</i>:2κ^2^<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]]-di-μ-4,4'-bipyridine-1κ<i>N</i>:1'κ<i>N</i>';2κ<i>N</i>:2'κ<i>N</i>'] monohydrate]
• Authors of publication: Jian Fang; Jinyu Han; Heying Chang; Yang Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m210 - m212
• a: 13.5069 ± 0.0016 Å
• b: 11.8393 ± 0.0014 Å
• c: 19.57 ± 0.002 Å
• α: 90°
• β: 91.595 ± 0.002°
• γ: 90°
• Cell volume: 3128.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes