Information card for entry 7036234

Structure parameters

• Chemical name: 7
• Formula: C68 H41 B F28 Ir N O
• Calculated formula: C68 H41 B F28 Ir N O
• Title of publication: Competition between vinylidene rearrangement and 1,2-insertion of carbon-disubstituted internal alkynes at a Cp*Ir(iii) complex.
• Authors of publication: Ikeda, Yousuke; Kodama, Shintaro; Tsuchida, Noriko; Ishii, Youichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17448 - 17452
• a: 15.42 ± 0.002 Å
• b: 13.0283 ± 0.0015 Å
• c: 16.333 ± 0.002 Å
• α: 90°
• β: 109.541 ± 0.0019°
• γ: 90°
• Cell volume: 3092.2 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No