Information card for entry 4302938

Structure parameters

• Formula: C122 H155 Fe4 N2 O14
• Calculated formula: C109 H133 Fe4 N2 O14
• Title of publication: New Family of Ferric Spin Clusters Incorporating Redox-Activeortho-Dioxolene Ligands
• Authors of publication: Yanyan Mulyana; Ayman Nafady; Arindam Mukherjee; Roland Bircher; Boujemaa Moubaraki; Keith S. Murray; Alan M. Bond; Brendan F. Abrahams; Colette Boskovic
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7765 - 7781
• a: 14.436 ± 0.003 Å
• b: 17.963 ± 0.004 Å
• c: 24.619 ± 0.005 Å
• α: 92.931 ± 0.004°
• β: 105.27 ± 0.005°
• γ: 113.359 ± 0.004°
• Cell volume: 5566 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No