Information card for entry 4085916

Structure parameters

• Formula: C37 H28 N2
• Calculated formula: C37 H28 N2
• SMILES: N(C1c2c(C=Cc3c1cccc3)cccc2)C(=N\C1c2c(cccc2)C=Cc2c1cccc2)\c1ccccc1
• 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: 10.8479 ± 0.0008 Å
• b: 17.9934 ± 0.0012 Å
• c: 14.5763 ± 0.001 Å
• α: 90°
• β: 107.833 ± 0.007°
• γ: 90°
• Cell volume: 2708.5 ± 0.3 ų
• Cell temperature: 104 ± 3 K
• Ambient diffraction temperature: 104 ± 3 K
• Number of distinct elements: 3
• 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: 0.094
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No