Information card for entry 4071329

Structure parameters

• Formula: C37 H47 I3 N9 Rh
• Calculated formula: C37 H47 I3 N9 Rh
• SMILES: c12cn(c(c3ccccc3)[n+]1Cn1c(c3ccccc3)[n+](cc1[Rh]2([N]#CC)([N]#CC)(I)I)CCCC)CCCC.C(#N)C.C(#N)C.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: 12.2798 ± 0.0008 Å
• b: 14.1168 ± 0.0009 Å
• c: 15.6034 ± 0.0011 Å
• α: 62.889 ± 0.005°
• β: 66.075 ± 0.005°
• γ: 79.759 ± 0.005°
• Cell volume: 2200.7 ± 0.3 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: 0.0293
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No