Information card for entry 4340337

Structure parameters

• Formula: C36.5 H84.75 F12 Fe4 Mo4 N11.25 O16 P2
• Calculated formula: C36.5 H84.75 F12 Fe4 Mo4 N12.25 O16 P2
• Title of publication: A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry.
• Authors of publication: Falkenhagen, Jan P.; Braun, Beatrice; Bill, Eckhard; Sattler, Dominik; Limberg, Christian
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7294 - 7308
• a: 30.6601 ± 0.0007 Å
• b: 30.6601 ± 0.0007 Å
• c: 15.3913 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14468.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No