Information card for entry 4327277

Structure parameters

• Common name: [Cu2((BzCN)3tacn)(u-OH)](ClO4)2(H2O)2
• Chemical name: bis(1,4,7-tris-(3-tolunitrile)-1,4,7-triazacyclononane)-bis -(u2- hydroxo)-dicopper(II)-diperchlorate monohydrate dihydrate
• Formula: C248 H263 Cl8 Cu8 N52 O49
• Calculated formula: C248 H262.72 Cl8 Cu8 N52 O49
• 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: 17.358 ± 0.004 Å
• b: 17.588 ± 0.004 Å
• c: 23.239 ± 0.005 Å
• α: 75.79 ± 0.03°
• β: 78.78 ± 0.03°
• γ: 88.31 ± 0.03°
• Cell volume: 6745 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No