Information card for entry 4079439

Structure parameters

• Formula: C28 H27 Cr N
• Calculated formula: C28 H27 Cr N
• SMILES: C[N]1(C)Cc2ccccc2C(=C(c2ccccc2)[Cr]23451[cH]1[cH]2[cH]3[cH]4[cH]51)c1ccccc1
• Title of publication: Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex
• Authors of publication: MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6681
• a: 14.8173 ± 0.0005 Å
• b: 9.6377 ± 0.0003 Å
• c: 15.6977 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.71 ± 0.13 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: 0.0513
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No