Information card for entry 2202452

Structure parameters

• Chemical name: [(S)-(-)-2-aminomethyl-1-ethylpyrrolidine- κ^2^N,N'](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate
• Formula: C16 H28 F3 N2 O3 Rh S
• Calculated formula: C16 H28 F3 N2 O3 Rh S
• SMILES: [Rh]1234([NH2]C[C@H]5[N]1(CC)CCC5)[CH]1=[CH]2CC[CH]3=[CH]4CC1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A new polymorph of [(<i>S</i>)-({-})-2-aminomethyl-1-ethylpyrrolidine-κ^2^<i>N,N</i>'](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate
• Authors of publication: Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.; Klinowski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1091 - m1093
• a: 11.7449 ± 0.0005 Å
• b: 14.5747 ± 0.0007 Å
• c: 22.97 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3932 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes