Information card for entry 4104020

Structure parameters

• Formula: C24 H20 Co N6
• Calculated formula: C24 H20 Co N6
• SMILES: [Co]1234([n]5ccccc5C=N1=Cc1[n]2cccc1)[n]1ccccc1C=N3=Cc1[n]4cccc1
• Title of publication: Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2
• Authors of publication: Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3428 - 3429
• a: 9.028 ± 0.006 Å
• b: 14.398 ± 0.009 Å
• c: 16.882 ± 0.009 Å
• α: 93.92 ± 0.05°
• β: 98.35 ± 0.05°
• γ: 97.35 ± 0.04°
• Cell volume: 2145 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.9789 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No