Information card for entry 4306724

Structure parameters

• Formula: C68 H117 Fe10 N13 O46
• Calculated formula: C68 H108 Fe10 N13 O46
• Title of publication: Bis-Tris Propane as a New Polydentate Linker in the Synthesis of Iron(III) and Manganese(II/III) Complexes
• Authors of publication: Alan Ferguson; Amiera Darwish; Kristoffer Graham; Marc Schmidtmann; Andrew Parkin; Mark Murrie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9742 - 9744
• a: 13.812 ± 0.009 Å
• b: 18.283 ± 0.008 Å
• c: 19.946 ± 0.008 Å
• α: 90°
• β: 90.18 ± 0.04°
• γ: 90°
• Cell volume: 5037 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No