Information card for entry 7112348

Structure parameters

• Formula: C144 H107 B8 F32 Fe4 N48 O12
• Calculated formula: C144 H107 B8 F32 Fe4 N48 O12
• Title of publication: A face-capped [Fe~4~L~4~]^8+^ spin crossover tetrahedral cage.
• Authors of publication: Ferguson, Alan; Squire, Marie A.; Siretanu, Diana; Mitcov, Dmitri; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 1597 - 1599
• a: 46.627 ± 0.007 Å
• b: 15.8882 ± 0.0013 Å
• c: 40.415 ± 0.005 Å
• α: 90°
• β: 127.15 ± 0.02°
• γ: 90°
• Cell volume: 23864 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2379
• Residual factor for significantly intense reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.3073
• Weighted residual factors for all reflections included in the refinement: 0.3563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108859
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No