Information card for entry 4023423

Structure parameters

• Common name: diRhTHF
• Formula: C39 H56 N2 O9 Rh2
• Calculated formula: C39 H56 N2 O9 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O2)C)(OC(C)=[O]3)([O]=C(O4)C)([O]2CCCC2)OC(=[O]1)C)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• Title of publication: Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts
• Authors of publication: Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4076 - 4086
• a: 17.537 ± 0.008 Å
• b: 12.284 ± 0.007 Å
• c: 19.233 ± 0.007 Å
• α: 90°
• β: 105.54 ± 0.002°
• γ: 90°
• Cell volume: 3992 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1715
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No