Information card for entry 1515518

Structure parameters

• Formula: C132 H132 Cl4 F36 Fe5 N24 O12 P6
• Calculated formula: C132 H108 Cl4 F36 Fe5 N24 O12 P6.0004
• Title of publication: Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine
• Authors of publication: Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 540
• a: 21.7946 ± 0.0006 Å
• b: 21.7946 ± 0.0006 Å
• c: 21.7946 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10352.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No