Information card for entry 2200471

Structure parameters

• Formula: C20 H34 Cl2 Cu N6 O8
• Calculated formula: C20 H34 Cl2 Cu N6 O8
• SMILES: [Cu]1234[N]5(CC[N]1(CC[N]2(CC5)C)C)CC[N]3(Cc1n4c2c([n]1C)cccc2)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: {2-(4,7-Dimethyl-1,4,7-triazacyclonon-1-yl)-<i>N</i>-methyl-<i>N</i>-[(1-methylbenzimidazol-2-yl)methyl]ethylamine}copper(II) bis(perchlorate)
• Authors of publication: Daly, Robert I.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: m355 - m356
• a: 12.978 ± 0.002 Å
• b: 16.518 ± 0.002 Å
• c: 23.95 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5134.2 ± 1.3 ų
• Cell temperature: 213.2 K
• Ambient diffraction temperature: 213.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes