Information card for entry 4071328

Structure parameters

• Formula: C23 H37 I3 N7 Rh
• Calculated formula: C23 H37 I3 N7 Rh
• SMILES: c12cn(c(C)[n+]1Cn1c(c[n+](c1C)CCCC)[Rh]2(I)(I)([N]#CC)[N]#CC)CCCC.C(#N)C.[I-]
• Title of publication: Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation
• Authors of publication: Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3161
• a: 9.8916 ± 0.0007 Å
• b: 11.2101 ± 0.0007 Å
• c: 15.4797 ± 0.001 Å
• α: 105.961 ± 0.005°
• β: 95.541 ± 0.005°
• γ: 103.501 ± 0.005°
• Cell volume: 1580.8 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No