Information card for entry 7004594

Structure parameters

• Formula: C14 H26.5 Cl I N4 O2.25
• Calculated formula: C14 H26 Cl I N4 O2.25
• Title of publication: Cyclam derivatives containing three acetate pendant arms: synthesis, acid‒base, metal complexation and structural studies
• Authors of publication: Lima, Luís M. P.; Delgado, Rita; Drew, Michael G. B.; Brandão, Paula; Félix, Vítor
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 46
• Pages of publication: 6593 - 6608
• a: 13.479 ± 0.014 Å
• b: 10.091 ± 0.012 Å
• c: 14.314 ± 0.014 Å
• α: 90°
• β: 108.57 ± 0.01°
• γ: 90°
• Cell volume: 1846 ± 3 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No