Information card for entry 7040284

Structure parameters

• Formula: C310 H596 B12 Cl24 Fe60 N108 O174
• Calculated formula: C300 H362 B12 Cl18 Fe60 N108 O177.86
• Title of publication: An {Fe60} tetrahedral cage: building nanoscopic molecular assemblies through cyanometallate and alkoxo linkers.
• Authors of publication: Jiménez, J-R; Mondal, A.; Chamoreau, L.-M.; Fertey, P.; Tuna, F.; Julve, M.; Bousseksou, A.; Lescouëzec, R; Lisnard, L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17610 - 17615
• a: 42.8834 ± 0.0004 Å
• b: 42.8834 ± 0.0004 Å
• c: 83.8832 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 154260 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.3249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.6683 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No