Information card for entry 4063828

Structure parameters

• Formula: C29 H33 Cl Cr F3 N2
• Calculated formula: C29 H33 Cl Cr F3 N2
• SMILES: CC1=[N](c2ccc(cc2)C(F)(F)F)[Cr]2345(N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)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: 12.2431 ± 0.0014 Å
• b: 9.8444 ± 0.0011 Å
• c: 22.431 ± 0.002 Å
• α: 90°
• β: 91.349 ± 0.004°
• γ: 90°
• Cell volume: 2702.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No