Information card for entry 7033288

Structure parameters

• Common name: C3, CuItpypo
• Chemical name: Iodo tris(2-pyridyl)phosphineoxide copper(I)
• Formula: C16.5 H14.25 Cu I N3.75 O P
• Calculated formula: C16.5 H14.25 Cu I N3.75 O P
• 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: 8.6959 ± 0.0003 Å
• b: 29.6332 ± 0.0011 Å
• c: 14.5579 ± 0.0006 Å
• α: 90°
• β: 105.894 ± 0.003°
• γ: 90°
• Cell volume: 3608 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No