Information card for entry 2004470

Structure parameters

• Formula: C13 H16 Ir N O S
• Calculated formula: C13 H12 Ir N O S
• Title of publication: (η^4^-Cycloocta-1,5-diene)(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)iridium(I)
• Authors of publication: Theron, M.; Purcell, W.; Basson, S. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 336 - 338
• a: 10.631 ± 0.002 Å
• b: 10.84 ± 0.002 Å
• c: 11.08 ± 0.002 Å
• α: 90°
• β: 92.31 ± 0.02°
• γ: 90°
• Cell volume: 1275.8 ± 0.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No