Information card for entry 4305196

Structure parameters

• Formula: C120.5 H123.5 Fe9 N5 O51.5 P6
• Calculated formula: C120.79 H123.63 Fe9 N5 O53 P6
• 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: 16.354 ± 0.004 Å
• b: 18.96 ± 0.005 Å
• c: 27.402 ± 0.007 Å
• α: 72.051 ± 0.003°
• β: 88.824 ± 0.003°
• γ: 74.839 ± 0.003°
• Cell volume: 7785 ± 3 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: 0.0892
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No