Information card for entry 7015444

Structure parameters

• Formula: C71.7 H73.1 Fe8 N22.9 O17.7
• Calculated formula: C71.7 H73.1 Fe8 N22.9 O17.7
• 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: 11.9923 ± 0.0004 Å
• b: 28.004 ± 0.001 Å
• c: 13.3217 ± 0.0005 Å
• α: 90°
• β: 114.382 ± 0.002°
• γ: 90°
• Cell volume: 4074.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No