Information card for entry 4071179

Structure parameters

• Formula: C22 H32 I2 N6 Rh2
• Calculated formula: C22 H32 I2 N6 Rh2
• SMILES: [Rh]123(I)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(N2C(=[Rh]345(I)[CH]6=[CH]3CC[CH]4=[CH]5CC6)N(N=C2)C)C=NN1C
• Title of publication: A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium
• Authors of publication: Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2128
• a: 8.7286 ± 0.0017 Å
• b: 12.243 ± 0.002 Å
• c: 13.855 ± 0.003 Å
• α: 103.63 ± 0.03°
• β: 100.11 ± 0.03°
• γ: 105.71 ± 0.03°
• Cell volume: 1339.1 ± 0.6 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: 0.0438
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No