Information card for entry 2209347

Structure parameters

• Chemical name: (1-Methylimidazole-κN^3^)[tris(2-aminoethyl)amine-κ^4^N]copper(II) bis(perchlorate)
• Formula: C10 H24 Cl2 Cu N6 O8
• Calculated formula: C10 H24 Cl2 Cu N6 O8
• SMILES: [Cu]123([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)[n]1c[n](cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: (1-Methylimidazole-κ<i>N</i>^3^)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]copper(II) bis(perchlorate)
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Zhong-Lin Lu; Xiao-Yang Gong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1247 - m1249
• a: 21.9941 ± 0.0007 Å
• b: 7.8942 ± 0.0003 Å
• c: 21.9941 ± 0.0007 Å
• α: 90°
• β: 92.607 ± 0.002°
• γ: 90°
• Cell volume: 3814.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes