Information card for entry 7117369

Structure parameters

• Formula: C21 H21 Fe N3
• Calculated formula: C21 H21 Fe N3
• SMILES: [Fe]12345678([cH]9[cH]1[cH]8[cH]2[cH]39)[cH]1[cH]5[cH]6[c]4(c2nnn(c3c(C)cc(C)cc3C)c2)[cH]71
• 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: 7.2798 ± 0.0015 Å
• b: 16.749 ± 0.004 Å
• c: 14.796 ± 0.003 Å
• α: 90°
• β: 103.923 ± 0.004°
• γ: 90°
• Cell volume: 1751.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No