Information card for entry 4071500

Structure parameters

• Formula: C28 H22 B F10 Ir
• Calculated formula: C28 H22 B F10 Ir
• SMILES: [IrH]1234567([c]89[cH]1[cH]2[cH]3[c]48[B](CCC9)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Title of publication: Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†
• Authors of publication: Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2328
• a: 11.8637 ± 0.0002 Å
• b: 13.7856 ± 0.0002 Å
• c: 16.3812 ± 0.0004 Å
• α: 105.611 ± 0.001°
• β: 90.657 ± 0.001°
• γ: 108.065 ± 0.001°
• Cell volume: 2439.88 ± 0.08 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No