Information card for entry 4082242

Structure parameters

• Formula: C30 H53 Ir O2 P2
• Calculated formula: C30 H53 Ir O2 P2
• Title of publication: Formation of Iridium(III) Allene Complexes via Isomerization of Internal Alkynes
• Authors of publication: Phadke, Neha; Findlater, Michael
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 16
• a: 8.0369 ± 0.0003 Å
• b: 10.6149 ± 0.0004 Å
• c: 19.4286 ± 0.0007 Å
• α: 92.411 ± 0.002°
• β: 91.896 ± 0.002°
• γ: 109.056 ± 0.002°
• Cell volume: 1563.33 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0355
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No