Information card for entry 4320131

Structure parameters

• Formula: C56 H59 Fe2 N8 O6
• Calculated formula: C56.016 H50 Fe2 N8 O6
• 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: 10.873 ± 0.002 Å
• b: 12.179 ± 0.002 Å
• c: 21.544 ± 0.004 Å
• α: 76.36 ± 0.03°
• β: 86.04 ± 0.03°
• γ: 69.35 ± 0.03°
• Cell volume: 2594 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No