Information card for entry 7063750

Structure parameters

• Formula: C44 H42 Cu2 F4 N8 O P2
• Calculated formula: C44 H40 Cu2 F4 N8 P2
• Title of publication: Blue to yellow-emitting neutral Cu(i) complexes with μ-bridging 1,2,4-triazole: synthesis, photophysical characterization and DFT calculations
• Authors of publication: Ferraro, Valentina; Gan, Xuemin; Rehak, Florian R.; Ralle, Philipp; Nieger, Martin; Steffen, Andreas; Klopper, Wim; Bräse, Stefan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 12468 - 12475
• a: 8.6661 ± 0.0014 Å
• b: 10.8999 ± 0.0017 Å
• c: 12.625 ± 0.002 Å
• α: 94.687 ± 0.007°
• β: 109.046 ± 0.007°
• γ: 90.99 ± 0.007°
• Cell volume: 1122.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No