Information card for entry 7007317

Structure parameters

• Formula: C23 H50 Cl4 Cu N7 O17.5
• Calculated formula: C23 H49 Cl4 Cu N7 O17.5
• Title of publication: Bis- and tris-(3-aminopropyl) derivatives of 14-membered tetraazamacrocycles containing pyridine: synthesis, protonation and complexation studies.
• Authors of publication: Guerra, Krassimira P.; Delgado, Rita; Drew, Michael G. B.; Félix, Vítor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 34
• Pages of publication: 4124 - 4133
• a: 12.613 ± 0.014 Å
• b: 24.302 ± 0.027 Å
• c: 13.488 ± 0.015 Å
• α: 90°
• β: 97.39 ± 0.01°
• γ: 90°
• Cell volume: 4100 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1804
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No