Information card for entry 4311939

Structure parameters

• Formula: C32 H45 Cl3 Fe2 N8 O14
• Calculated formula: C32 H45 Cl3 Fe2 N8 O14
• 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: 21.4327 ± 0.0012 Å
• b: 25.3791 ± 0.0014 Å
• c: 15.8574 ± 0.0008 Å
• α: 90°
• β: 110.476 ± 0.001°
• γ: 90°
• Cell volume: 8080.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1762
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No