Information card for entry 2215803

Structure parameters

• Chemical name: bis[μ-bis(imidazol-1-yl)methane]bis[aqua(oxalato)copper(II)] dihydrate
• Formula: C18 H24 Cu2 N8 O12
• Calculated formula: C18 H24 Cu2 N8 O12
• SMILES: C1n2c[n](cc2)[Cu]2([n]3cn(Cn4c[n](cc4)[Cu]4([n]5cn1cc5)(OC(=O)C(=O)O4)[OH2])cc3)(OC(=O)C(=O)O2)[OH2].O.O
• Title of publication: Bis[μ-bis(imidazol-1-yl)methane]bis[aqua(oxalato)copper(II)] dihydrate
• Authors of publication: Shouwen Jin; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2755 - m2756
• a: 7.97 ± 0.004 Å
• b: 9.77 ± 0.004 Å
• c: 9.913 ± 0.004 Å
• α: 117.964 ± 0.004°
• β: 104.582 ± 0.005°
• γ: 91.773 ± 0.005°
• Cell volume: 649.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes