Information card for entry 4515337

Structure parameters

• Formula: C34 H27 F4 N3 Pt
• Calculated formula: C34 H27 F4 N3 Pt
• SMILES: [Pt]123[n]4c(c5c2cc(F)cc5F)cccc4N(c2[n]1c(ccc2)c1c3cc(F)cc1F)c1ccc(cc1)CCCCCC
• Title of publication: Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers.
• Authors of publication: Wilde, Sebastian; Ma, Dongxin; Koch, Tobias; Bakker, Anne; Gonzalez-Abradelo, Dario; Stegemann, Linda; Daniliuc, Constantin G.; Fuchs, Harald; Gao, Hongying; Doltsinis, Nikos L.; Duan, Lian; Strassert, Cristian A.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 22460 - 22473
• a: 10.9326 ± 0.0002 Å
• b: 11.3868 ± 0.0002 Å
• c: 12.5978 ± 0.0002 Å
• α: 67.259 ± 0.001°
• β: 87.877 ± 0.001°
• γ: 72.964 ± 0.001°
• Cell volume: 1377.71 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No