Information card for entry 2211924

Structure parameters

• Chemical name: (S-Methylcysteinato)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate hemihydrate
• Formula: C15 H24 F3 Ir N O5.5 S2
• Calculated formula: C15 H24 F3 Ir N O5.5 S2
• Title of publication: (<i>S</i>-Methylcysteinato)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate hemihydrate
• Authors of publication: Michael Scharwitz; Tobias van Almsick; William S. Sheldrick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m230 - m232
• a: 8.51 ± 0.005 Å
• b: 10.728 ± 0.003 Å
• c: 23.664 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160.4 ± 1.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes