Information card for entry 2201845

Structure parameters

• Chemical name: [Rh(R)-(+)-1,1-binaphthyl-2,2'-diamine](1,5-cyclo-octadiene)rhodium(I) trifluoromethanesulfonate diethyl ether disolvate
• Formula: C37 H48 F3 N2 O5 Rh S
• Calculated formula: C37 H48 F3 N2 O5 Rh S
• SMILES: [Rh]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)[NH2]c1ccc2ccccc2c1c1c2ccccc2ccc1[NH2]4.C(S(=O)(=O)[O-])(F)(F)F.O(CC)CC.O(CC)CC
• Title of publication: [(<i>R</i>)-(+)-1,1-Binaphthyl-2,2'-diamine](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate diethyl ether disolvate
• Authors of publication: Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: m6 - m7
• a: 10.7729 ± 0.0002 Å
• b: 18.0442 ± 0.0004 Å
• c: 19.318 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3755.19 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes