Information card for entry 4071332

Structure parameters

• Formula: C20.5 H33.5 I3 N6 Rh
• Calculated formula: C19 H30 I3 N6 Rh
• SMILES: C12N(C=CN1CN1C=CN(C1=[Rh]=2([N]#CC)([N]#CC)(I)I)CCCC)CCCC.[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: 9.1548 ± 0.0009 Å
• b: 11.9397 ± 0.0012 Å
• c: 14.1549 ± 0.0013 Å
• α: 95.23 ± 0.012°
• β: 107.292 ± 0.011°
• γ: 93.65 ± 0.012°
• Cell volume: 1464.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No