Information card for entry 2203438

Structure parameters

• Formula: C10 H20 Cu N2 O11
• Calculated formula: C10 H20 Cu N2 O11
• SMILES: C1C[NH+]2CC[NH+]1CC2.C1(=O)O[Cu]2(OC(=O)C(=O)O2)(OC1=O)[OH2].O.O
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane aquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate
• Authors of publication: Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m378 - m380
• a: 9.3847 ± 0.0007 Å
• b: 9.4884 ± 0.0006 Å
• c: 9.6936 ± 0.0005 Å
• α: 62.15 ± 0.004°
• β: 81.987 ± 0.004°
• γ: 87.868 ± 0.003°
• Cell volume: 755.36 ± 0.09 ų
• Cell temperature: 167 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes