Information card for entry 4340335

Structure parameters

• Formula: C62 H95 Fe4 Mo4 N21 O16
• Calculated formula: C62 H95 Fe4 Mo4 N21 O16
• 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: 13.4045 ± 0.0006 Å
• b: 13.6116 ± 0.0006 Å
• c: 24.204 ± 0.0011 Å
• α: 79.947 ± 0.004°
• β: 82.025 ± 0.004°
• γ: 65.663 ± 0.003°
• Cell volume: 3951 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No