Information card for entry 7008575

Structure parameters

• Common name: L1.4H2O
• Formula: C22 H56 N4 O8
• Calculated formula: C22 H56 N4 O8
• Title of publication: Anion and cation binding by a pendant arm cyclam and its macrobicyclic derivatives.
• Authors of publication: Channa, Asif; Steed, Jonathan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2455 - 2461
• a: 7.7258 ± 0.0015 Å
• b: 7.9552 ± 0.0016 Å
• c: 25.987 ± 0.005 Å
• α: 91.77 ± 0.03°
• β: 90.64 ± 0.03°
• γ: 111.41 ± 0.03°
• Cell volume: 1485.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No