Information card for entry 4072279

Structure parameters

• Formula: C25 H33 Cl2 Co N3
• Calculated formula: C25 H33 Cl2 Co N3
• SMILES: [Co]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: 17.509 ± 0.001 Å
• b: 9.837 ± 0.001 Å
• c: 15.598 ± 0.001 Å
• α: 90°
• β: 114.4 ± 0.01°
• γ: 90°
• Cell volume: 2446.6 ± 0.4 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: 0.075
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No