Information card for entry 4085928

Structure parameters

• Formula: C41 H53 Fe N3
• Calculated formula: C41 H53 Fe N3
• SMILES: [Fe]123([CH]4=[CH]1[CH]2=[CH]3C=CC=C4)(C#[N]C12CC3CC(C1)CC(C2)C3)(C#[N]C12CC3CC(C1)CC(C2)C3)C#[N]C12CC3CC(C1)CC(C2)C3
• Title of publication: Combinatorial Approach to the Catalytic Hydrosilylation of Styrene Derivatives: Catalyst Systems Composed of Organoiron(0) or (II) Precursors and Isocyanides
• Authors of publication: Sunada, Yusuke; Noda, Daisuke; Soejima, Hiroe; Tsutsumi, Hironori; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2896
• a: 12.89 ± 0.0015 Å
• b: 20.6 ± 0.003 Å
• c: 12.68 ± 0.0014 Å
• α: 90°
• β: 99.01 ± 0.002°
• γ: 90°
• Cell volume: 3325.4 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No