Information card for entry 4326872

Structure parameters

• Formula: C36 H38 Fe O4 P2
• Calculated formula: C36 H38 Fe O4 P2
• Title of publication: Ligand Adducts of Bis(acetylacetonato)iron(II): A 1H NMR Study
• Authors of publication: Zhigang Xue; Jean-Claude Daran; Yohan Champouret; Rinaldo Poli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11543 - 11551
• a: 8.7676 ± 0.0004 Å
• b: 9.9352 ± 0.0005 Å
• c: 10.4923 ± 0.0005 Å
• α: 76.145 ± 0.004°
• β: 88.541 ± 0.004°
• γ: 66.314 ± 0.005°
• Cell volume: 810.04 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No