Information card for entry 7237513

Structure parameters

• Common name: C17
• Formula: C49 H34 Cl2 F3 Ir N2 O6 S3
• Calculated formula: C49.019 H34.038 Cl2.038 F3 Ir N2 O6 S3
• Title of publication: Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes
• Authors of publication: Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 39
• Pages of publication: 10640
• a: 13.947 ± 0.006 Å
• b: 16.406 ± 0.007 Å
• c: 20.411 ± 0.008 Å
• α: 86.55 ± 0.015°
• β: 82.304 ± 0.014°
• γ: 75.731 ± 0.015°
• Cell volume: 4484 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No