Information card for entry 7047921

Structure parameters

• Common name: Tris-2-pyridyl methane-tris-ortho-tolylphosphino copper(I) hexafluorophosphate salt
• Chemical name: [Cu(tpym)(P(o-tol)3]PF6
• Formula: C37.5 H35 Cl Cu F6 N3 P2
• Calculated formula: C37.5 H35 Cl Cu F6 N3 P2
• Title of publication: Deep blue emitting Cu(i) tripod complexes. Design of high quantum yield materials showing TADF-assisted phosphorescence.
• Authors of publication: Schinabeck, Alexander; Rau, Nicholas; Klein, Marius; Sundermeyer, Jörg; Yersin, Hartmut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 17067 - 17076
• a: 10.4074 ± 0.0005 Å
• b: 12.8993 ± 0.0006 Å
• c: 15.6284 ± 0.0007 Å
• α: 110.988 ± 0.001°
• β: 106.237 ± 0.002°
• γ: 92.198 ± 0.002°
• Cell volume: 1858.17 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No