Information card for entry 7038414

Structure parameters

• Formula: C39 H41 Cl2 F6 Ir N5 O2 P
• Calculated formula: C38.997 H41 Cl2.003 F6 Ir N4.997 O2 P
• Title of publication: Toward fluorine-free blue-emitting cationic iridium complexes: to generate emission from the cyclometalating ligands with enhanced triplet energy.
• Authors of publication: He, Lei; Wang, Zhen; Duan, Lian; Yang, Chunpeng; Tang, Ruiren; Song, Xiangzhi; Pan, Chunyue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5604 - 5613
• a: 12.1095 ± 0.0018 Å
• b: 12.9895 ± 0.0019 Å
• c: 13.821 ± 0.002 Å
• α: 103.14 ± 0.001°
• β: 106.991 ± 0.002°
• γ: 93.635 ± 0.002°
• Cell volume: 2004.9 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No