Information card for entry 4312339

Structure parameters

• Formula: C131 H130 Cl4 Fe11 N14 O38
• Calculated formula: C131 H130 Cl4 Fe11 N14 O38
• Title of publication: A Novel Undecametallic Iron(III) Cluster with an S=11/2 Spin Ground State
• Authors of publication: Leigh F. Jones; Euan K. Brechin; David Collison; Madeleine Helliwell; Talal Mallah; Stergios Piligkos; Gopalan Rajaraman; Wolfgang Wernsdorfer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6601 - 6603
• a: 13.9889 ± 0.0009 Å
• b: 21.5807 ± 0.0015 Å
• c: 23.9145 ± 0.0016 Å
• α: 90°
• β: 94.753 ± 0.001°
• γ: 90°
• Cell volume: 7194.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No