Information card for entry 7015447

Structure parameters

• Formula: C54 H88 Fe6 N6 O24 S2
• Calculated formula: C54 H88 Fe6 N6 O24 S2
• Title of publication: Hexa- and octanuclear iron(III) salicylaldoxime clusters.
• Authors of publication: Mason, Kevin; Gass, Ian A.; White, Fraser J.; Papaefstathiou, Giannis S.; Brechin, Euan K.; Tasker, Peter A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2875 - 2881
• a: 20.4582 ± 0.0004 Å
• b: 14.4149 ± 0.0003 Å
• c: 22.6752 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6687 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.362
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No