Information card for entry 4103649

Structure parameters

• Formula: C28 H31 Cr N2
• Calculated formula: C28 H31 Cr N2
• SMILES: c1(c(c(C)ccc1)[N]1=C(C=C(C)N(c2c(C)cccc2C)[Cr]23451([cH]1[cH]5[cH]2[cH]4[cH]31)C#C)C)C
• Title of publication: Exploring Chromium(III)-Alkyl Bond Homolysis with CpCr[(ArNCMe)2CH](R) Complexes
• Authors of publication: K. Cory MacLeod; Julia L. Conway; Brian O. Patrick; Kevin M. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 17325 - 17334
• a: 7.853 ± 0.005 Å
• b: 13.783 ± 0.005 Å
• c: 22.07 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.8 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2388.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No