Information card for entry 4085925

Structure parameters

• Formula: C37 H27 Br3 Fe2 N2
• Calculated formula: C37 H27 Br3 Fe2 N2
• SMILES: C12c3c([CH]4=[CH](c5c1cccc5)[Fe]14([N]2=C(N2C4c5c([CH]6=[CH](c7c4cccc7)[Fe]26(Br)[Br]1)cccc5)c1ccccc1)Br)cccc3
• Title of publication: Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application
• Authors of publication: Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3079
• a: 14.8426 ± 0.0008 Å
• b: 17.7906 ± 0.0007 Å
• c: 13.3967 ± 0.0006 Å
• α: 90°
• β: 113.228 ± 0.006°
• γ: 90°
• Cell volume: 3250.8 ± 0.3 ų
• Cell temperature: 105.4 ± 0.2 K
• Ambient diffraction temperature: 105.4 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No