Information card for entry 4085917

Structure parameters

• Formula: C49 H51 N2 Na O3
• Calculated formula: C49 H51 N2 Na O3
• SMILES: C1(c2c(C=Cc3c1cccc3)cccc2)[N]1=C(N(C2c3c(C=Cc4c2cccc4)cccc3)[Na]1([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)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: 22.915 ± 0.005 Å
• b: 8.5483 ± 0.0016 Å
• c: 20.189 ± 0.004 Å
• α: 90°
• β: 91.145 ± 0.006°
• γ: 90°
• Cell volume: 3953.9 ± 1.4 ų
• Cell temperature: 101.1 K
• Ambient diffraction temperature: 101.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No