Information card for entry 4514443

Structure parameters

• Formula: C54.78 H47.78 B Cl5.36 Ir N2 O6 S3
• Calculated formula: C54.786 H47.786 B Cl5.358 Ir N2 O6 S3
• Title of publication: Highly Efficient Deep-Red Organic Light-Emitting Devices Based on Asymmetric Iridium(III) Complexes with the Thianthrene 5,5,10,10-Tetraoxide Moiety.
• Authors of publication: Sun, Yuanhui; Yang, Xiaolong; Feng, Zhao; Liu, Boao; Zhong, Daokun; Zhang, Junjie; Zhou, Guijiang; Wu, Zhaoxin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 26152 - 26164
• a: 13.6261 ± 0.0019 Å
• b: 15.4733 ± 0.0018 Å
• c: 16.25 ± 0.002 Å
• α: 71.128 ± 0.009°
• β: 69.144 ± 0.008°
• γ: 70.733 ± 0.008°
• Cell volume: 2938.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0573
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1272
• 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: No
• Has Fobs: No