Information card for entry 4089517

Structure parameters

• Formula: C18 H24 Co N
• Calculated formula: C18 H24 Co N
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Co]1567234[cH]2[cH]1[cH]5[cH]6[c]72C(CC#N)(C)C
• Title of publication: Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups
• Authors of publication: Thiel, Indre; Lamač, Martin; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3415
• a: 12.2509 ± 0.0002 Å
• b: 8.0628 ± 0.0001 Å
• c: 15.5122 ± 0.0002 Å
• α: 90°
• β: 99.614 ± 0.001°
• γ: 90°
• Cell volume: 1510.72 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No