Information card for entry 4075272

Structure parameters

• Formula: C13 H12 Cl4 F6 N4 O2 P Rh
• Calculated formula: C13 H12 Cl4 F6 N4 O2 P Rh
• SMILES: C1CCN2C(=[Rh](C#[O])(=C3N(C)C(=C(N13)Cl)Cl)C#[O])N(C)C(=C2Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.0885 ± 0.0016 Å
• b: 15.882 ± 0.003 Å
• c: 8.9084 ± 0.0018 Å
• α: 90°
• β: 104.81 ± 0.03°
• γ: 90°
• Cell volume: 1106.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No