Information card for entry 2220847

Structure parameters

• Chemical name: Bis(4-ammonio-4-methylpentan-2-one-κ<i>O</i>)dioxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^)copper(II)
• Formula: C16 H28 Cu N2 O10
• Calculated formula: C16 H28 Cu N2 O10
• SMILES: C1(=O)O[Cu]2(OC(=O)C(=O)O2)OC1=O.CC(=O)CC(C)([NH3+])C.CC(=O)CC(C)(C)[NH3+]
• Title of publication: Bis(4-ammonio-4-methylpentan-2-one-κ<i>O</i>)dioxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^-copper(II)
• Authors of publication: Ji, Zhiqin; Wei, Shaopeng; Wu, Wenjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m182
• a: 13.639 ± 0.003 Å
• b: 7.9749 ± 0.0016 Å
• c: 10.958 ± 0.002 Å
• α: 90°
• β: 113.27 ± 0.03°
• γ: 90°
• Cell volume: 1094.9 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes