Information card for entry 4324800

Structure parameters

• Formula: C30 H32 B2 F8 Fe N6 O4
• Calculated formula: C30 H32 B2 F8 Fe N6 O4
• Title of publication: Anion Dependent Redox Changes in Iron Bis-terdentate Nitroxide {NNO} Chelates
• Authors of publication: Ian A. Gass; Christopher J. Gartshore; David W. Lupton; Boujemaa Moubaraki; Ayman Nafady; Alan M. Bond; John F. Boas; John D. Cashion; Carsten Milsmann; Karl Wieghardt; Keith S. Murray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3052 - 3064
• a: 9.514 ± 0.0007 Å
• b: 13.0947 ± 0.001 Å
• c: 13.2183 ± 0.001 Å
• α: 89.994 ± 0.002°
• β: 86.119 ± 0.003°
• γ: 75.89 ± 0.002°
• Cell volume: 1593.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No