Information card for entry 4072282

Structure parameters

• Formula: C25 H33 Cl2 Fe N3
• Calculated formula: C25 H33 Cl2 Fe N3
• SMILES: [Fe]12(Cl)(Cl)[n]3c(cccc3C(C)=[N]2CCC=C)C(C)=[N]1c1c(cccc1C(C)C)C(C)C
• Title of publication: Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†
• Authors of publication: Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6547
• a: 17.316 ± 0.005 Å
• b: 9.809 ± 0.004 Å
• c: 15.391 ± 0.003 Å
• α: 90°
• β: 114.315 ± 0.009°
• γ: 90°
• Cell volume: 2382.3 ± 1.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 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: 0.1514
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No