Information card for entry 7015646

Structure parameters

• Common name: ((mu!3$-imido)(mu!3$-oxo)tris(eta$5!- pentamethylcyclopentadienyliridium(iii))) triflate
• Chemical name: [(μ~3~-imido)(μ~3~-oxo)tris(η^5^-pentamethylcyclopentadienyliridium(iii))] triflate
• Formula: C36 H54 F6 Ir3 N O7 S2
• Calculated formula: C36 H54 F6 Ir3 N O7 S2
• Title of publication: Synthesis and X-ray crystal structure of a novel organometallic (μ3-oxido)(μ3-imido) trinuclear iridium complex.
• Authors of publication: Schau-Magnussen, Magnus; Malcho, Phillip; Herbst, Konrad; Brorson, Michael; Bendix, Jesper
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4212 - 4216
• a: 21.513 ± 0.0008 Å
• b: 13.535 ± 0.003 Å
• c: 14.3094 ± 0.0014 Å
• α: 90°
• β: 93.085 ± 0.009°
• γ: 90°
• Cell volume: 4160.6 ± 1 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No