Information card for entry 4070078

Structure parameters

• Chemical name: (carbonyl)(triphenylphosphine)(methyl)(trimethylsylyl-cyclopentadienyl)iron(III)
• Formula: C28 H31 Fe O P Si
• Calculated formula: C28 H31 Fe O P Si
• SMILES: [Fe]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([c]5([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]45)(C#[O])C
• Title of publication: The Utility of Sodium Diisopropylamide (NADA): Formation of a New Transition Metalate via Silyl Migration Chemistry, [(η5-Me3SiC5H4)Fe(CO)(PPh3)]−Na+(SiFpPNa), and Resulting Thermal Rearrangements of the Complexes SiFpP−CH2SiMe2R (R = H, SiMe3) to SiFpP−SiMe2CH2R
• Authors of publication: Munguia, Teresita; Bakir, Zaynab A.; Cervantes-Lee, Francisco; Metta-Magana, Alejandro; Pannell, Keith H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5777
• a: 9.2213 ± 0.0004 Å
• b: 15.9784 ± 0.0008 Å
• c: 17.5446 ± 0.0008 Å
• α: 90°
• β: 95.516 ± 0.001°
• γ: 90°
• Cell volume: 2573.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No