Information card for entry 4310749

Structure parameters

• Formula: C34 H55 F12 N6 P2 Rh
• Calculated formula: C34 H55 F12 N6 P2 Rh
• SMILES: [Rh]1234([CH]5=[CH]2CC[CH]4=[CH]1CC5)=C1N(CC(CN2C=CN(CCCC)C=32)(C)C[n+]2ccn(CCCC)c2)C=CN1CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Carbene Complexes of Rhodium and Iridium from Tripodal N-Heterocyclic Carbene Ligands: Synthesis and Catalytic Properties
• Authors of publication: Elena Mas-Marzá; Macarena Poyatos; Mercedes Sanaú; Eduardo Peris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2213 - 2219
• a: 33.544 ± 0.007 Å
• b: 10.027 ± 0.002 Å
• c: 28.873 ± 0.006 Å
• α: 90°
• β: 120.2 ± 0.03°
• γ: 90°
• Cell volume: 8393 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1946
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No