Information card for entry 4513854

Structure parameters

• Formula: C20 H39 Fe N3 O P2
• Calculated formula: C20 H39 Fe N3 O P2
• Title of publication: Highly Efficient and Selective Hydrogenation of Aldehydes: A Well-Defined Fe(II) Catalyst Exhibits Noble-Metal Activity.
• Authors of publication: Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: ACS catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2664 - 2672
• a: 13.7848 ± 0.0007 Å
• b: 11.7982 ± 0.0005 Å
• c: 15.4447 ± 0.0008 Å
• α: 90°
• β: 113.332 ± 0.0014°
• γ: 90°
• Cell volume: 2306.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No