Information card for entry 7117368

Structure parameters

• Formula: C24 H27 Fe N3
• Calculated formula: C24 H27 Fe N3
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1nnn(c1)c1c(cccc1C(C)C)C(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Heterobimetallic complexes with redox-active mesoionic carbenes as metalloligands: electrochemical properties, electronic structures and catalysis
• Authors of publication: Lara Hettmanczyk; Sinja Manck; Carolin Hoyer; Stephan Hohloch; Biprajit Sarkar
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10949
• a: 21.0171 ± 0.0008 Å
• b: 49.949 ± 0.003 Å
• c: 7.7045 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8088.1 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No