Information card for entry 4038295

Structure parameters

• Formula: C24 H30 Cl2 Fe N2 O3
• Calculated formula: C24 H30 Cl2 Fe N2 O3
• Title of publication: Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.
• Authors of publication: Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.2186 ± 0.0002 Å
• b: 13.2909 ± 0.0002 Å
• c: 14.0998 ± 0.0003 Å
• α: 90°
• β: 96.7465 ± 0.0015°
• γ: 90°
• Cell volume: 2460 ± 0.07 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No