Information card for entry 1543439

Structure parameters

• Formula: C47 H46 N2 O3 Pd
• Calculated formula: C47 H46 N2 O3 Pd
• SMILES: [Pd]123c4c(Oc5c3c(C3(c6c(ccc(c6)C(C)(C)C)c6ccc(cc36)C(C)(C)C)c3[n]1cccc3)ccc5)cccc4c1[n]2cccc1.O=C(OCC)C
• Title of publication: Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs
• Authors of publication: Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 6083
• a: 19.469 ± 0.003 Å
• b: 12.2196 ± 0.0016 Å
• c: 16.391 ± 0.002 Å
• α: 90°
• β: 102.099 ± 0.003°
• γ: 90°
• Cell volume: 3812.9 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No