Information card for entry 4023422

Structure parameters

• Common name: diRh29
• Formula: C49 H64 N2 O8 Rh2
• Calculated formula: C49 H64 N2 O8 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O2)C)(OC(=[O]4)C)([O]=C(O3)C)OC(=[O]1)C)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.c1c(cccc1)C.c1(ccccc1)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: 16.992 ± 0.006 Å
• b: 16.649 ± 0.004 Å
• c: 18.948 ± 0.005 Å
• α: 90°
• β: 116.3 ± 0.008°
• γ: 90°
• Cell volume: 4806 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2208
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No