Information card for entry 4079444

Structure parameters

• Formula: C24 H31 Cr2 N
• Calculated formula: C24 H31 Cr2 N
• SMILES: C[N]1(C)C2[C]34C=CC=C[C]5=3[Cr]367891(C(C(C)(C)C)[Cr]1%10%11%122459[cH]2[cH]%12[cH]%11[cH]%10[cH]12)[cH]1[cH]8[cH]7[cH]6[cH]31
• 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: 15.458 ± 0.002 Å
• b: 9.149 ± 0.0013 Å
• c: 14.479 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2047.7 ± 0.5 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: 0.0478
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No