Information card for entry 7105146

Structure parameters

• Formula: C21 H33 I2 N6 Rh
• Calculated formula: C21 H33 I2 N6 Rh
• SMILES: c12cn(c(C)[n+]1CC1Cn3c(c[n+](c3C)C(C)C)[Rh]21(I)([N]#CC)[N]#CC)C(C)C.[I-]
• Title of publication: Rhodium-mediated activation of an alkane-type C-H bond.
• Authors of publication: Krüger, Anneke; Neels, Antonia; Albrecht, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 315 - 317
• a: 13.2142 ± 0.0012 Å
• b: 13.768 ± 0.0013 Å
• c: 15.0238 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2733.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No