Information card for entry 4305193

Structure parameters

• Formula: C532 H496 Fe24 N10 O116 P12
• Calculated formula: C531.96 H496 Fe24 N10 O116 P12
• Title of publication: Synthesis and Characterization of High Nuclearity Iron(III) Phosphonate Molecular Clusters
• Authors of publication: Sanjit Konar; Abraham Clearfield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5573 - 5579
• a: 20.777 ± 0.003 Å
• b: 22.558 ± 0.003 Å
• c: 30.174 ± 0.005 Å
• α: 78.142 ± 0.003°
• β: 88.054 ± 0.003°
• γ: 88.211 ± 0.003°
• Cell volume: 13828 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1606
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.3212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No