Information card for entry 1559993

Structure parameters

• Formula: C29 H17 F4 N3 O Pd
• Calculated formula: C29 H17 F4 N3 O Pd
• SMILES: [Pd]123[n]4c(N(c5ccc(cc5)OC)c5cccc([n]15)c1c(cc(cc31)F)F)cccc4c1c(cc(cc21)F)F
• Title of publication: Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
• Authors of publication: Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 3270 - 3281
• a: 11.8675 ± 0.0009 Å
• b: 12.4514 ± 0.001 Å
• c: 17.2457 ± 0.0014 Å
• α: 94.655 ± 0.002°
• β: 96.279 ± 0.002°
• γ: 113.088 ± 0.002°
• Cell volume: 2308.6 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No