Information card for entry 1568352

Structure parameters

• Formula: C34 H34 N6 O2 Sn2
• Calculated formula: C34 H34 N6 O2 Sn2
• Title of publication: Excited state energy landscape of phosphorescent group 14 complexes.
• Authors of publication: Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2489 - 2500
• a: 15.389 ± 0.003 Å
• b: 8.8015 ± 0.0018 Å
• c: 23.005 ± 0.009 Å
• α: 90°
• β: 101.75 ± 0.03°
• γ: 90°
• Cell volume: 3050.6 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No