Information card for entry 7016939

Structure parameters

• Formula: C21 H32 I2 N6 Rh
• Calculated formula: C21 H32 I2 N6 Rh
• SMILES: C12=CN([C]N1CC1CN3C(N(C=C3)CCCC)=[Rh]21(I)([N]#CC)[N]#CC)CCCC.[I-]
• Title of publication: Smooth C(alkyl)-H bond activation in rhodium complexes comprising abnormal carbene ligands.
• Authors of publication: Krüger, Anneke; Häller, L Jonas L; Müller-Bunz, Helge; Serada, Olha; Neels, Antonia; Macgregor, Stuart A.; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9911 - 9920
• a: 16.7813 ± 0.0009 Å
• b: 11.0963 ± 0.0004 Å
• c: 14.6937 ± 0.0007 Å
• α: 90°
• β: 97.152 ± 0.004°
• γ: 90°
• Cell volume: 2714.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0792
• 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