Information card for entry 4067337

Structure parameters

• Formula: C31 H41 Cr N2
• Calculated formula: C31 H41 Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(CC(C)(C)C)N1c1c(cccc1C)C
• Title of publication: Cyclopentadienyl Chromium β-Diketiminate Complexes: Initiators, Ligand Steric Effects, and Deactivation Processes in the Controlled Radical Polymerization of Vinyl Acetate
• Authors of publication: Champouret, Yohan; MacLeod, K. Cory; Baisch, Ulrich; Patrick, Brian O.; Smith, Kevin M.; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 167
• a: 14.198 ± 0.0004 Å
• b: 13.7783 ± 0.0005 Å
• c: 28.1736 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5511.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No