Information card for entry 2235363

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-methylmalonato- κ^2^<i>O</i>^1^,<i>O</i>^3^)copper(II) dihydrate
• Formula: C14 H18 Cu N2 O7
• Calculated formula: C14 H18 Cu N2 O7
• SMILES: c1cccc2c3cccc[n]3[Cu]3([n]12)(OC(=O)C(C(=O)O3)C)[OH2].O.O
• Title of publication: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2-methylmalonato-κ^2^<i>O</i>^1^,<i>O</i>^3^)copper(II) dihydrate
• Authors of publication: Manochitra, P.; Manikandan, N.; Murugavel, S.; Sreeshailam, R.; Sambasiva Rao, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m884 - m885
• a: 10.7588 ± 0.0007 Å
• b: 7.4761 ± 0.0006 Å
• c: 20.1029 ± 0.0013 Å
• α: 90°
• β: 90.917 ± 0.006°
• γ: 90°
• Cell volume: 1616.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes