Information card for entry 4336837

Structure parameters

• Formula: C49 H64 B3 F12 Fe2 N13 O5
• Calculated formula: C49 H64 B3 F12 Fe2 N13 O5
• Title of publication: Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products
• Authors of publication: Amit Majumdar; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13292 - 13294
• a: 12.7306 ± 0.0007 Å
• b: 13.507 ± 0.0007 Å
• c: 21.6669 ± 0.0012 Å
• α: 76.909 ± 0.001°
• β: 79.875 ± 0.001°
• γ: 66.862 ± 0.001°
• Cell volume: 3321.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2625
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes