Information card for entry 4084846

Structure parameters

• Formula: C19 H34 Br Cl2 D2 Fe N3 O P2
• Calculated formula: C19 H34 Br Cl2 D2 Fe N3 O P2
• Title of publication: Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism
• Authors of publication: Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6905
• a: 18.885 ± 0.003 Å
• b: 13.024 ± 0.002 Å
• c: 10.5229 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2588.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0326
• Goodness-of-fit parameter for significantly intense reflections: 1.82
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No