Information card for entry 4327280

Structure parameters

• Common name: Cu2-(Me2Bztacn)2(ClO4)2
• Chemical name: bis(1,4-dimethyl-1,4,7-triazacyclononane)- bis-(u2-hydroxo)-dicopper(II)-diperchlorate
• Formula: C30 H54 Cl2 Cu2 N6 O11
• Calculated formula: C30 H54 Cl2 Cu2 N6 O11
• SMILES: [Cu]123([N]4(CC[N]1(CC[N]2(CC4)C)C)Cc1ccccc1)[OH][Cu]12([N]4(CC[N]2(CC[N]1(CC4)C)C)Cc1ccccc1)[OH]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane
• Authors of publication: Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 3746 - 3755
• a: 10.748 ± 0.002 Å
• b: 16.733 ± 0.003 Å
• c: 20.725 ± 0.004 Å
• α: 90°
• β: 96.39 ± 0.03°
• γ: 90°
• Cell volume: 3704.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No