Information card for entry 7000064

Structure parameters

• Formula: C16 H38 Cl2 Cu N6 O10
• Calculated formula: C16 H36 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: 13.2769 ± 0.0003 Å
• b: 16.8427 ± 0.0003 Å
• c: 19.9307 ± 0.0004 Å
• α: 105.132 ± 0.0011°
• β: 94.325 ± 0.0009°
• γ: 112.972 ± 0.0011°
• Cell volume: 3881.53 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1025
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0604
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No