Information card for entry 4075271

Structure parameters

• Formula: C20 H26 Cl6 F6 N4 P Rh
• Calculated formula: C20 H26 Cl6 F6 N4 P Rh
• SMILES: [Rh]1234(=C5N(C)C(Cl)=C(N5CCCN5C(Cl)=C(Cl)N(C=15)C)Cl)[CH]1CC[CH]3=[CH]4CC[CH]2=1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings
• Authors of publication: Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 3063
• a: 9.8933 ± 0.0009 Å
• b: 22.248 ± 0.002 Å
• c: 13.1699 ± 0.0012 Å
• α: 90°
• β: 95.59 ± 0.002°
• γ: 90°
• Cell volume: 2885 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No