Information card for entry 4130052

Structure parameters

• Formula: C17 H18 Cl2 Fe N2
• Calculated formula: C17 H18 Cl2 Fe N2
• Title of publication: Robust and Porous β-Diketiminate-Functionalized Metal-Organic Frameworks for Earth-Abundant-Metal-Catalyzed C-H Amination and Hydrogenation.
• Authors of publication: Thacker, Nathan C.; Lin, Zekai; Zhang, Teng; Gilhula, James C.; Abney, Carter W.; Lin, Wenbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3501 - 3509
• a: 10.473 ± 0.009 Å
• b: 22.252 ± 0.019 Å
• c: 7.486 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.1104
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No