Information card for entry 7004595

Structure parameters

• Formula: C24 H52 I7 N4 O10 P2
• Calculated formula: C24 H52 I7 N4 O10 P2
• 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: 10.9857 ± 0.0008 Å
• b: 13.1654 ± 0.001 Å
• c: 16.3597 ± 0.0012 Å
• α: 96.362 ± 0.004°
• β: 99.913 ± 0.004°
• γ: 95.544 ± 0.004°
• Cell volume: 2300.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No