Information card for entry 4084361

Structure parameters

• Formula: C25 H38 Fe O Si2
• Calculated formula: C25 H38 Fe O Si2
• SMILES: [Fe]1234([Si](C)(C)C)(=C=C([Si](C)(C)C)c5ccccc5)(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Formation of Hydroxyindenyl and Vinylidene Ligands by Reaction of Internal Alkynes with Cp*Fe(CO)(NCMe)Ph
• Authors of publication: Kalman, Steven E.; Gunnoe, T. Brent; Sabat, Michal
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5457
• a: 18.407 ± 0.009 Å
• b: 18.427 ± 0.009 Å
• c: 17.5 ± 0.009 Å
• α: 90°
• β: 118.007 ± 0.007°
• γ: 90°
• Cell volume: 5241 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.1262
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2895
• Weighted residual factors for all reflections included in the refinement: 0.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No