Information card for entry 4065092

Structure parameters

• Formula: C22 H41 Fe O3 P3
• Calculated formula: C22 H41 Fe O3 P3
• 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)C#[O]
• 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: 10.6189 ± 0.0001 Å
• b: 14.7715 ± 0.0002 Å
• c: 15.9611 ± 0.0002 Å
• α: 90°
• β: 91.729 ± 0.001°
• γ: 90°
• Cell volume: 2502.47 ± 0.05 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: 0.0423
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No