Information card for entry 2235858

Structure parameters

• Chemical name: Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')[μ~3~-3-bromo-2- (carboxylatomethyl)benzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^]cadmium] monohydrate]
• Formula: C19 H17 Br Cd N2 O6
• Calculated formula: C19 H17 Br Cd N2 O6
• Title of publication: Poly[[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')[μ~3~-3-bromo-2-(carboxylatomethyl)benzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^2^]cadmium] monohydrate]
• Authors of publication: Liu, Yangmei; Cao, Kai; Wang, Fenglin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1071
• a: 9.3257 ± 0.0019 Å
• b: 9.1312 ± 0.0018 Å
• c: 11.652 ± 0.002 Å
• α: 90°
• β: 101.344 ± 0.004°
• γ: 90°
• Cell volume: 972.8 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes