Information card for entry 4309837

Structure parameters

• Common name: [Fe2OnapTPA2](ClO4)3
• Formula: C48 H45 Cl3 Fe2 N8 O16
• Calculated formula: C48 H45 Cl3 Fe2 N8 O16
• 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: 22.489 ± 0.005 Å
• b: 22.414 ± 0.005 Å
• c: 10.422 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5253.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No