Information card for entry 7033295

Structure parameters

• Common name: tpyas
• Chemical name: Tris(2-pyridyl)arsine
• Formula: C15 H12 As N3
• Calculated formula: C15 H12 As N3
• SMILES: [As](c1ncccc1)(c1ncccc1)c1ncccc1
• Title of publication: A new class of luminescent Cu(i) complexes with tripodal ligands - TADF emitters for the yellow to red color range.
• Authors of publication: Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Rau, Nicholas; Yersin, Hartmut; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8506 - 8520
• a: 9.1529 ± 0.0009 Å
• b: 9.1102 ± 0.0006 Å
• c: 16.0342 ± 0.0016 Å
• α: 90°
• β: 100.982 ± 0.008°
• γ: 90°
• Cell volume: 1312.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No