Information card for entry 2224501

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-(3-thienyl)malonato- κ^2^<i>O</i>,<i>O</i>']zinc(II) dihydrate
• Formula: C17 H18 N2 O7 S Zn
• Calculated formula: C17 H18 N2 O7 S Zn
• Title of publication: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-(3-thienyl)malonato-κ^2^<i>O</i>,<i>O</i>']zinc(II) dihydrate
• Authors of publication: Meng, Cai-Xia; Zheng, Xue-Gang; Fu, Feng; Zhang, Xiao-Ning; Zhang, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1604 - m1605
• a: 15.9978 ± 0.001 Å
• b: 14.5647 ± 0.0009 Å
• c: 16.5889 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3865.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes