Information card for entry 4070557

Structure parameters

• Formula: C16 H28 Cl2 N3 Rh
• Calculated formula: C16 H28 Cl2 N3 Rh
• SMILES: [Rh]123(Cl)(Cl)[CH]4CC[CH]1=[CH]3CC[CH]2=4.n1(c[n+](cc1)CCN(C)C)C
• Title of publication: Rhodium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient Alkyne Hydrosilylation Catalysts
• Authors of publication: Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Gierz, Verena; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 224
• a: 36.9644 ± 0.001 Å
• b: 36.9644 ± 0.001 Å
• c: 7.2845 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8619.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No