Information card for entry 4084360

Structure parameters

• Formula: C21 H26 Fe O
• Calculated formula: C21 H26 Fe O
• 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: 18.349 ± 0.002 Å
• b: 8.612 ± 0.0009 Å
• c: 22.556 ± 0.002 Å
• α: 90°
• β: 94.695 ± 0.002°
• γ: 90°
• Cell volume: 3552.4 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No