Information card for entry 7033290

Structure parameters

• Common name: C5, CuBrtpyps
• Chemical name: Bromo tris(2-pyridyl)phosphinesulfide copper(I)
• Formula: C20 H19.5 Br Cu N5.5 P S
• Calculated formula: C20 H19.5 Br Cu N5.5 P S
• 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: 8.5838 ± 0.0003 Å
• b: 15.2046 ± 0.0007 Å
• c: 17.8716 ± 0.0006 Å
• α: 90°
• β: 103.386 ± 0.003°
• γ: 90°
• Cell volume: 2269.11 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No