Information card for entry 4063824

Structure parameters

• Formula: C30 H36 Cr F3 N2
• Calculated formula: C30 H36 Cr F3 N2
• SMILES: CC1=CC(C)=[N](c2ccc(cc2)C(F)(F)F)[Cr]2345(C)([cH]6[cH]2[cH]3[cH]4[cH]56)N1c1c(cccc1C(C)C)C(C)C
• 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: 9.3223 ± 0.0016 Å
• b: 9.7973 ± 0.0019 Å
• c: 15.129 ± 0.003 Å
• α: 80.996 ± 0.007°
• β: 80.608 ± 0.007°
• γ: 86.496 ± 0.007°
• Cell volume: 1345.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No