Information card for entry 4350325

Structure parameters

• Formula: C50 H47 Cl4 Fe4 N18 O12.5
• Calculated formula: C50 H42 Cl4 Fe4 N18 O12.5
• 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: 13.658 ± 0.009 Å
• b: 15.815 ± 0.009 Å
• c: 17.29 ± 0.01 Å
• α: 97.08 ± 0.03°
• β: 98.55 ± 0.03°
• γ: 112.12 ± 0.03°
• Cell volume: 3355 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No