Information card for entry 7046423

Structure parameters

• Formula: C50 H36 Ir N3 O2 P2 S2
• Calculated formula: C50 H36 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: 13.2664 ± 0.0003 Å
• b: 17.6254 ± 0.0004 Å
• c: 55.0222 ± 0.0017 Å
• α: 90°
• β: 93.977 ± 0.002°
• γ: 90°
• Cell volume: 12834.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No