Information card for entry 4106703

Structure parameters

• Formula: C46 H48 Fe6 N18 O6
• Calculated formula: C46 H48 Fe6 N18 O6
• Title of publication: Multi-Site Reactivity: Reduction of Six Equivalents of Nitrite To Give an Fe6(NO)6 Cluster with a Dramatically Expanded Octahedral Core
• Authors of publication: T. David Harris; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13852 - 13855
• a: 10.967 ± 0.002 Å
• b: 16.718 ± 0.003 Å
• c: 12.659 ± 0.003 Å
• α: 90°
• β: 91.286 ± 0.005°
• γ: 90°
• Cell volume: 2320.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No