Information card for entry 7034626

Structure parameters

• Formula: C81.5 H159 Cl3 Fe11 N O39
• Calculated formula: C81.5 H159 Cl3 Fe11 N O39
• Title of publication: Undecametallic and hexadecametallic ferric oxo-hydroxo/ethoxo pivalate clusters.
• Authors of publication: Baca, Svetlana G.; Speldrich, Manfred; van Leusen, Jan; Ellern, Arkady; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7777 - 7780
• a: 13.2026 ± 0.0018 Å
• b: 16.084 ± 0.002 Å
• c: 27.889 ± 0.004 Å
• α: 95.898 ± 0.002°
• β: 90.145 ± 0.002°
• γ: 96.779 ± 0.002°
• Cell volume: 5849.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1238
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No