Information card for entry 4065091

Structure parameters

• Formula: C24 H50 Fe O2 P4
• Calculated formula: C24 H50 Fe O2 P4
• SMILES: [FeH]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Iron Hydride Complexes Bearing Phosphinite-Based Pincer Ligands: Synthesis, Reactivity, and Catalytic Application in Hydrosilylation Reactions
• Authors of publication: Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4720
• a: 10.3557 ± 0.0002 Å
• b: 15.304 ± 0.0002 Å
• c: 18.1959 ± 0.0003 Å
• α: 90°
• β: 93.71 ± 0.001°
• γ: 90°
• Cell volume: 2877.71 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No