Information card for entry 4518175

Structure parameters

• Formula: C24 H42 Cl Ir N O6 P
• Calculated formula: C24 H42 Cl Ir N O6 P
• Title of publication: Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability
• Authors of publication: Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 13019 - 13030
• a: 7.9554 ± 0.0009 Å
• b: 13.3409 ± 0.0014 Å
• c: 13.583 ± 0.0014 Å
• α: 108.591 ± 0.004°
• β: 95.505 ± 0.005°
• γ: 94.138 ± 0.004°
• Cell volume: 1352 ± 0.3 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 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 all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for all reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0692
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No