Information card for entry 7036233

Structure parameters

• Chemical name: 4c
• Formula: C67 H39 B Cl2 F28 Ir N
• Calculated formula: C67 H39 B Cl2 F28 Ir N
• 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: 13.6103 ± 0.0014 Å
• b: 14.1674 ± 0.0017 Å
• c: 17.5443 ± 0.0019 Å
• α: 88.498 ± 0.004°
• β: 73.243 ± 0.004°
• γ: 79.69 ± 0.003°
• Cell volume: 3185.8 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No