Information card for entry 4350323

Structure parameters

• Formula: C50 H44 Cl6 Fe4 N12 O11
• Calculated formula: C50 H38 Cl6 Fe4 N12 O11
• Title of publication: Reactivity and structural and physical studies of tetranuclear iron(III) clusters containing the [Fe4(mu3-O)2]8+ "butterfly" core: an FeIII4 cluster with an S = 1 ground state.
• Authors of publication: Stamatatos, Theocharis C.; Boudalis, Athanassios K.; Sanakis, Yiannis; Raptopoulou, Catherine P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7372 - 7381
• a: 35.06 ± 0.02 Å
• b: 35.06 ± 0.02 Å
• c: 13.255 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16293 ± 15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No