Information card for entry 7045332

Structure parameters

• Chemical name: Complex of butyldi(pyridin-2-yl)phosphine oxide with copper(I) thiocyanate
• Formula: C30 H34 Cu2 N6 O2 P2 S2
• Calculated formula: C30 H34 Cu2 N6 O2 P2 S2
• Title of publication: Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.
• Authors of publication: Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2701 - 2710
• a: 8.8655 ± 0.001 Å
• b: 14.2395 ± 0.0016 Å
• c: 14.5066 ± 0.0016 Å
• α: 109.975 ± 0.005°
• β: 90.384 ± 0.005°
• γ: 103.193 ± 0.005°
• Cell volume: 1668.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1384
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No