Information card for entry 7043935

Structure parameters

• Formula: C39 H38 Cl2 F10 Ir N3 P
• Calculated formula: C39 H38 Cl2 F10 Ir N3 P
• Title of publication: Room temperature transmetallation from tris(pentafluorophenyl)borane to cyclometallated iridium(III)
• Authors of publication: Maity, Ayan; Kölsch, Jonas; Na, Hanah; Teets, Thomas S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.213 ± 0.004 Å
• b: 12.217 ± 0.004 Å
• c: 13.801 ± 0.005 Å
• α: 92.12 ± 0.004°
• β: 101.748 ± 0.004°
• γ: 95.488 ± 0.005°
• Cell volume: 2003.4 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No