Information card for entry 4074622

Structure parameters

• Common name: compound 6 x 1/2Et~2~O
• Chemical name: (Tp^Me2^)IrH(CHC(Me)C(Me)CHC(Me)).1/2Et~2~O
• Formula: C25 H39 B Ir N6 O0.5
• Calculated formula: C25.845 H34 B Ir N6
• Title of publication: Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures
• Authors of publication: Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2230
• a: 35.009 ± 0.002 Å
• b: 7.968 ± 0.0005 Å
• c: 25.796 ± 0.0017 Å
• α: 90°
• β: 129.232 ± 0.001°
• γ: 90°
• Cell volume: 5573.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No