Information card for entry 4103628

Structure parameters

• Formula: C33 H45 Cr N2
• Calculated formula: C33 H45 Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cc(cc2C)C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(CC(C)(C)C)N1c1c(cc(cc1C)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: 9.7794 ± 0.0005 Å
• b: 11.7808 ± 0.0006 Å
• c: 14.9206 ± 0.0007 Å
• α: 106.794 ± 0.002°
• β: 98.093 ± 0.002°
• γ: 112.487 ± 0.002°
• Cell volume: 1457.9 ± 0.13 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: 0.0502
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No