Information card for entry 2229028

Structure parameters

• Chemical name: Aqua[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane]oxalatocopper(II) dihydrate
• Formula: C15 H26 Cu N4 O7
• Calculated formula: C15 H26 Cu N4 O7
• SMILES: [Cu]12(OC(=O)C(=O)O1)([OH2])[n]1c([nH]c(c1Cc1[n]2c([nH]c1C)CC)C)CC.O.O
• Title of publication: Aqua[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]oxalatocopper(II) dihydrate
• Authors of publication: Luo, Yang-Hui; Qian, Xiao-Min; Gao, Ge; Li, Jin-Feng; Mao, Shu-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m172
• a: 12.1711 ± 0.0013 Å
• b: 23.167 ± 0.002 Å
• c: 7.44 ± 0.0008 Å
• α: 90°
• β: 107.304 ± 0.001°
• γ: 90°
• Cell volume: 2002.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes