Information card for entry 4101857

Structure parameters

• Formula: C33 H43 Co N5
• Calculated formula: C33 H43 Co N5
• SMILES: [Co]12([N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)C)ccc3)C)c1c(cccc1C(C)C)C(C)C)[N]#N
• Title of publication: Synthesis and Molecular and Electronic Structures of Reduced Bis(imino)pyridine Cobalt Dinitrogen Complexes: Ligand versus Metal Reduction
• Authors of publication: Amanda C. Bowman; Carsten Milsmann; Crisita Carmen Hojilla Atienza; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1676 - 1684
• a: 8.436 ± 0.0012 Å
• b: 17.851 ± 0.003 Å
• c: 20.117 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3029.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No