Information card for entry 4085921

Structure parameters

• Formula: C100 H96 B2 F48 Fe O9
• Calculated formula: C100 H96 B2 F48 Fe O9
• 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: 25.7267 ± 0.0017 Å
• b: 17.4831 ± 0.0008 Å
• c: 24.6865 ± 0.0016 Å
• α: 90°
• β: 109.256 ± 0.007°
• γ: 90°
• Cell volume: 10482.4 ± 1.2 ų
• Cell temperature: 104 ± 4 K
• Ambient diffraction temperature: 104 ± 4 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No