Information card for entry 2213186

Structure parameters

• Chemical name: Chlorido(ethylenediamine-κ^2^N)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate
• Formula: C13 H23 Cl F3 Ir N2 O3 S
• Calculated formula: C13 H23 Cl F3 Ir N2 O3 S
• Title of publication: Chlorido(ethylenediamine-κ^2^<i>N</i>)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate
• 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: 5
• Pages of publication: m1469 - m1470
• a: 15.4 ± 0.005 Å
• b: 8.5728 ± 0.0016 Å
• c: 14.202 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875 ± 1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes