Information card for entry 7015446

Structure parameters

• Formula: C60.83 H60.83 Cl2 Fe6 N8.17 O28
• Calculated formula: C58 H52 Cl2 Fe6 N8 O26
• 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: 16.1705 ± 0.0004 Å
• b: 27.5304 ± 0.0007 Å
• c: 29.7123 ± 0.0008 Å
• α: 114.542 ± 0.001°
• β: 90.873 ± 0.001°
• γ: 93.459 ± 0.001°
• Cell volume: 11998.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No