Information card for entry 4079443

Structure parameters

• Formula: C21 H24 Cr N
• Calculated formula: C21 H24 Cr N
• SMILES: c12ccccc1C[N](C)(C)[Cr]13452([cH]2[cH]1[cH]3[cH]4[cH]52)c1ccc(cc1)C
• 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: 8.6032 ± 0.0005 Å
• b: 9.9332 ± 0.0005 Å
• c: 11.8898 ± 0.0006 Å
• α: 70.311 ± 0.002°
• β: 77.289 ± 0.002°
• γ: 66.086 ± 0.002°
• Cell volume: 870.42 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No