Information card for entry 4086584

Structure parameters

• Formula: C76 H100 Cl4 Ir P4
• Calculated formula: C76 H100 Cl4 Ir P4
• Title of publication: Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes
• Authors of publication: Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 13
• Pages of publication: 2224
• a: 18.6016 ± 0.0007 Å
• b: 18.6016 ± 0.0007 Å
• c: 14.2012 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4255.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No