Information card for entry 4071497

Structure parameters

• Formula: C32 H28 B F10 Ir N2
• Calculated formula: C32 H28 B F10 Ir N2
• SMILES: [Ir]1234567([c]8([cH]1[cH]2[cH]3[cH]48)CCC[B]([n]1cn(cc1)C)(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: 10.335 ± 0.001 Å
• b: 10.481 ± 0.001 Å
• c: 14.273 ± 0.001 Å
• α: 74.01 ± 0.01°
• β: 74.64 ± 0.01°
• γ: 83.01 ± 0.01°
• Cell volume: 1431.2 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No