Information card for entry 7058366

Structure parameters

• Formula: C100 H62 F12 Ir2 N8 O P2 S4
• Calculated formula: C100 H62 F12 Ir2 N8 O P2 S4
• Title of publication: Sulfur atom containing ligands induced rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for OLEDs
• Authors of publication: Su, Ning; Yang, Hui-Qing; Zheng, You-Xuan; Chen, Zhao-Xu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8722
• a: 24.7841 ± 0.0009 Å
• b: 20.5732 ± 0.0008 Å
• c: 8.1565 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4158.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No