Information card for entry 4333808

Structure parameters

• Formula: C240 H385.8 Cl2.1 Fe36 N55.9 O264 P44
• Calculated formula: C240 H236 Cl2.1 Fe36 N55.9 O287 P44
• Title of publication: An Unprecedented Fe36 Phosphonate Cage
• Authors of publication: Christine M. Beavers; Andrey V. Prosverin; John D. Cashion; Kim R. Dunbar; Anne F. Richards
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1670 - 1672
• a: 43.6079 ± 0.0017 Å
• b: 28.7572 ± 0.001 Å
• c: 50.5916 ± 0.0019 Å
• α: 90°
• β: 120.999 ± 0.002°
• γ: 90°
• Cell volume: 54383 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2414
• Residual factor for significantly intense reflections: 0.1927
• Weighted residual factors for significantly intense reflections: 0.4821
• Weighted residual factors for all reflections included in the refinement: 0.5115
• Goodness-of-fit parameter for all reflections included in the refinement: 3.75
• Diffraction radiation wavelength: 1.0332 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No