Information card for entry 4103546

Structure parameters

• Formula: C43 H47 Co N6
• Calculated formula: C43 H47 Co N6
• SMILES: [Co]12([N](=C(c3[n]1c(C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)ccc3)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N=N#N
• Title of publication: Photolysis and Thermolysis of Bis(imino)pyridine Cobalt Azides: C-H Activation from Putative Cobalt Nitrido Complexes
• Authors of publication: Crisita Carmen Hojilla Atienza; Amanda C. Bowman; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16343 - 16345
• a: 13.6155 ± 0.0012 Å
• b: 17.7814 ± 0.0016 Å
• c: 16.1138 ± 0.0014 Å
• α: 90°
• β: 103.206 ± 0.004°
• γ: 90°
• Cell volume: 3798 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No