Information card for entry 4085927

Structure parameters

• Formula: C27 H31 Fe N
• Calculated formula: C27 H31 Fe N
• SMILES: [Fe]123456([CH]7=[CH]1[CH]2=[CH]3C=CC=C7)([CH]1=[CH]4[CH]5=[CH]6C=CC=C1)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: 25.542 ± 0.004 Å
• b: 8.9605 ± 0.0014 Å
• c: 9.0105 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.2 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No