Information card for entry 4063827

Structure parameters

• Formula: C28 H34 Cl Cr N2
• Calculated formula: C28 H34 Cl Cr N2
• SMILES: CC1=CC(C)=[N](c2ccccc2)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(N1c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes
• Authors of publication: Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 603
• a: 10.5875 ± 0.0018 Å
• b: 19.271 ± 0.003 Å
• c: 24.113 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4919.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No