Information card for entry 7046425

Structure parameters

• Formula: C52 H34 F6 Ir N3 O2 P2 S2
• Calculated formula: C52 H34 F6 Ir N3 O2 P2 S2
• Title of publication: Efficient yellow electroluminescence of four iridium(iii) complexes with benzo[d]thiazole derivatives as main ligands.
• Authors of publication: Niu, Zhi-Gang; Chen, Jun; Tan, Peng; Sun, Wei; Zheng, You-Xuan; Li, Gao-Nan; Zuo, Jing-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 24
• Pages of publication: 8032 - 8040
• a: 14.2112 ± 0.0003 Å
• b: 20.0703 ± 0.0005 Å
• c: 20.8334 ± 0.0004 Å
• α: 109.056 ± 0.002°
• β: 109.9 ± 0.0018°
• γ: 92.8019 ± 0.0018°
• Cell volume: 5194.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No