Information card for entry 1543440

Structure parameters

• Formula: C43 H36 F2 N2 O Pd
• Calculated formula: C43 H36 F2 N2 O Pd
• SMILES: [Pd]123c4c(c5[n]1cccc5)c(F)cc(F)c4Oc1c3c(C3(c4[n]2cccc4)c2cc(C(C)(C)C)ccc2c2ccc(cc32)C(C)(C)C)ccc1
• 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: 15.2388 ± 0.0013 Å
• b: 14.5866 ± 0.0013 Å
• c: 15.9868 ± 0.0014 Å
• α: 90°
• β: 106.442 ± 0.0018°
• γ: 90°
• Cell volume: 3408.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No