Information card for entry 7000062

Structure parameters

• Formula: C16 H34 Cl2 Cu N6 O10
• Calculated formula: C16 H34 Cl2 Cu N6 O10
• Title of publication: Selective metal promoted hydrolysis of nitrile groups in the side chain of tetraazamacrocyclic Cu2±complexes.
• Authors of publication: Siegfried, Liselotte; Comparone, Antonio; Neuburger, Markus; Kaden, Thomas A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 30 - 36
• a: 12.6801 ± 0.0008 Å
• b: 12.7062 ± 0.0014 Å
• c: 15.2062 ± 0.0012 Å
• α: 90°
• β: 92.868 ± 0.006°
• γ: 90°
• Cell volume: 2446.9 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0287
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No