Information card for entry 4067448

Structure parameters

• Formula: C16 H19 Fe N
• Calculated formula: C16 H19 Fe N
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)C(=CC([c]15[cH]6[cH]7[cH]8[cH]91)N(C)C)C
• Title of publication: Metal-Free Frustrated Lewis Pair Catalyzed 1,4-Hydrogenation of Conjugated Metallocene Dienamines
• Authors of publication: Schwendemann, Sina; Tumay, Tülay Aslı; Axenov, Kirill V.; Peuser, Ilona; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1067
• a: 11.8168 ± 0.0002 Å
• b: 16.2924 ± 0.0002 Å
• c: 14.0456 ± 0.0002 Å
• α: 90°
• β: 102.25 ± 0.001°
• γ: 90°
• Cell volume: 2642.55 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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 all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No