Information card for entry 4320130

Structure parameters

• Formula: C56 H64 Fe2 N7 O8
• Calculated formula: C56 H64 Fe2 N7 O8
• Title of publication: Influence of Extrinsic Factors on Electron Transfer in a Mixed-Valence Fe2+/Fe3+ Complex: Experimental Results and Theoretical Considerations
• Authors of publication: Catalina Achim; Emile L. Bominaar; Richard J. Staples; Eckard Münck; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4389 - 4403
• a: 12.593 ± 0.003 Å
• b: 12.969 ± 0.003 Å
• c: 16.715 ± 0.003 Å
• α: 98.86 ± 0.03°
• β: 101.15 ± 0.03°
• γ: 95.88 ± 0.03°
• Cell volume: 2621.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No