Information card for entry 2203086

Structure parameters

• Chemical name: diaqua(1,5-cyclooctadiene)rhodium(I) triflate
• Formula: C9 H16 F3 O5 Rh S
• Calculated formula: C9 H16 F3 O5 Rh S
• SMILES: [Rh]123([OH2])([OH2])[CH]4=[CH]1CC[CH]2=[CH]3CC4.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Low-temperature phase of diaqua(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate
• Authors of publication: Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m85 - m87
• a: 11.9569 ± 0.0011 Å
• b: 12.0716 ± 0.0017 Å
• c: 12.1417 ± 0.0017 Å
• α: 104.944 ± 0.012°
• β: 105.414 ± 0.01°
• γ: 116.683 ± 0.01°
• Cell volume: 1357.1 ± 0.4 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes