Information card for entry 4309836

Structure parameters

• Common name: Fe2O(O2CCH2C10H7)2tren2
• Formula: C50 H65 B Fe2 N10 O11
• Calculated formula: C50 H65 B Fe2 N10 O11
• Title of publication: Intramolecular Energy Transfer Involving Heisenberg Spin-Coupled Dinuclear Iron-Oxo Complexes
• Authors of publication: Laura B. Picraux; Amanda L. Smeigh; Dong Guo; James K. McCusker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7846 - 7859
• a: 10.2299 ± 0.0011 Å
• b: 15.7752 ± 0.0017 Å
• c: 18.864 ± 0.002 Å
• α: 69.257 ± 0.002°
• β: 77.285 ± 0.002°
• γ: 73.252 ± 0.002°
• Cell volume: 2702.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No