Information card for entry 4103643

Structure parameters

• Formula: C41 H53 Cr N2
• Calculated formula: C41 H53 Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(Cc2ccccc2)N1c1c(cccc1C(C)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: 19.3249 ± 0.0005 Å
• b: 9.0312 ± 0.0002 Å
• c: 20.0983 ± 0.0005 Å
• α: 90°
• β: 98.613 ± 0.001°
• γ: 90°
• Cell volume: 3468.14 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No