Information card for entry 4070587

Structure parameters

• Formula: C66 H62 F6 N4 O8 P4 Rh2 S2
• Calculated formula: C66 H62 F6 N4 O8 P4 Rh2 S2
• SMILES: [Rh]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])=C1N(C=CN1C)CCN1C(=[Rh]2([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C#[O])N(C=C1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands
• Authors of publication: Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 691
• a: 18.8274 ± 0.0017 Å
• b: 15.4094 ± 0.0014 Å
• c: 23.436 ± 0.002 Å
• α: 90°
• β: 98.2285 ± 0.0013°
• γ: 90°
• Cell volume: 6729.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No