Information card for entry 1572063

Structure parameters

• Formula: C38 H40 F6 Fe N2 O4
• Calculated formula: C38 H40 F6 Fe N2 O4
• Title of publication: 2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions
• Authors of publication: Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4522 - 4532
• a: 10.59054 ± 0.00012 Å
• b: 15.4277 ± 0.0002 Å
• c: 23.2167 ± 0.0003 Å
• α: 101.099 ± 0.0012°
• β: 99.234 ± 0.001°
• γ: 103.291 ± 0.0008°
• Cell volume: 3538.47 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No