Information card for entry 4103647

Structure parameters

• Formula: C32 H35 Cr N2
• Calculated formula: C32 H35 Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C)C)[Cr]2345(c6ccccc6)([cH]6[cH]5[cH]4[cH]3[cH]26)N1c1c(cccc1C)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: 9.3624 ± 0.0011 Å
• b: 12.2408 ± 0.0014 Å
• c: 12.6542 ± 0.0015 Å
• α: 65.485 ± 0.003°
• β: 89.588 ± 0.003°
• γ: 87.589 ± 0.003°
• Cell volume: 1318.2 ± 0.3 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: 0.0489
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No