Information card for entry 4311941

Structure parameters

• Formula: C33 H49 Cl3 Fe2 N10 O15
• Calculated formula: C33 H49 Cl3 Fe2 N10 O15
• Title of publication: Reactivity of a (μ-Oxo)(μ-hydroxo)diiron(III) Diamond Core with Water, Urea, Substituted Ureas, and Acetamide
• Authors of publication: Sonia Taktak; Sergey V. Kryatov; Elena V. Rybak-Akimova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7196 - 7209
• a: 12.952 ± 0.0011 Å
• b: 16.2382 ± 0.0015 Å
• c: 20.5194 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4315.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2101
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No