Information card for entry 7114194

Structure parameters

• Formula: C151.5 H196 F10 Mn26 N66 O46.5
• Calculated formula: C151.5 H88 F10 Mn26 N66 O46.5
• Title of publication: New routes to high nuclearity cages: a fluoride-based hexaicosametallic manganese cage
• Authors of publication: Jones, Leigh F.; Brechin, Euan K.; Collison, David; Harrison, Andrew; Teat, Simon J.; Wernsdorfer, Wolfgang
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2974
• a: 17.957 ± 0.001 Å
• b: 24.0865 ± 0.0014 Å
• c: 27.3871 ± 0.0016 Å
• α: 98.907 ± 0.002°
• β: 95.758 ± 0.002°
• γ: 101.778 ± 0.002°
• Cell volume: 11349.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1316
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.6867 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No