Information card for entry 4127214

Structure parameters

• Formula: C30 H23 F6 Ir N5 P
• Calculated formula: C30 H23 F6 Ir N5 P
• Title of publication: In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.
• Authors of publication: Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 10.8771 ± 0.0003 Å
• b: 15.7831 ± 0.0004 Å
• c: 32.4325 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5567.8 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No