Information card for entry 4080929

Structure parameters

• Formula: C19.5 H26 Cl F6 Ir N3 P
• Calculated formula: C19.5 H26 Cl F6 Ir N3 P
• Title of publication: Primary Amine Functionalized N-Heterocyclic Carbene Complexes of Iridium: Synthesis, Structure, and Catalysis
• Authors of publication: O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3808
• a: 10.4979 ± 0.0005 Å
• b: 11.4423 ± 0.0005 Å
• c: 21.5427 ± 0.0008 Å
• α: 74.93 ± 0.003°
• β: 88.535 ± 0.003°
• γ: 67.908 ± 0.002°
• Cell volume: 2307.71 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0959
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No