Information card for entry 4320132

Structure parameters

• Formula: C56 H59 Fe2 N8 O6
• Calculated formula: C55.984 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: 10.9045 ± 0.0002 Å
• b: 12.214 ± 0.0002 Å
• c: 21.678 ± 0.0009 Å
• α: 76.298 ± 0.001°
• β: 85.948 ± 0.001°
• γ: 69.354 ± 0.001°
• Cell volume: 2624.66 ± 0.13 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No