Information card for entry 7016941

Structure parameters

• Formula: C19 H30 I2 N5 Rh
• Calculated formula: C19 H30 I2 N5 Rh
• SMILES: [Rh]12(I)(I)([N]#CC)=C3N(C=CN3CC1CN1C=2N(C=C1)CCCC)CCCC
• 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: 7.6131 ± 0.0011 Å
• b: 8.3587 ± 0.0011 Å
• c: 10.6771 ± 0.0015 Å
• α: 68.734 ± 0.003°
• β: 73.159 ± 0.003°
• γ: 66.537 ± 0.003°
• Cell volume: 572.37 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No