Information card for entry 4079440

Structure parameters

• Formula: C23 H28 Cr N O
• Calculated formula: C23 H28 Cr N O
• SMILES: c12ccccc1C[N](C)(C)[Cr]13452([cH]2[cH]5[cH]4[cH]3[cH]12)OC(C)(C)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: 11.8637 ± 0.0005 Å
• b: 14.0753 ± 0.0006 Å
• c: 12.0754 ± 0.0005 Å
• α: 90°
• β: 100.629 ± 0.002°
• γ: 90°
• Cell volume: 1981.81 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No