Information card for entry 4023420

Structure parameters

• Common name: diRh26
• Formula: C83 H108 N4 O8 Rh2
• Calculated formula: C83 H108 N4 O8 Rh2
• SMILES: [Rh]1234([Rh](OC(=[O]1)C)([O]=C(O4)C)(OC(=[O]3)C)(=C1N(c3c(cccc3C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)[O]=C(O2)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C.c1c(C)cccc1.c1c(C)cccc1.c1ccccc1C
• 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: 12.654 ± 0.0002 Å
• b: 18.214 ± 0.0003 Å
• c: 19.158 ± 0.0003 Å
• α: 103.584 ± 0.001°
• β: 101.389 ± 0.001°
• γ: 101.895 ± 0.001°
• Cell volume: 4057.1 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No