Information card for entry 7036835

Structure parameters

• Chemical name: [Cu(PPh3)tpym]PF6
• Formula: C35 H29 Cl3 Cu F6 N3 P2
• Calculated formula: C35 H29 Cl3 Cu F6 N3 P2
• Title of publication: A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.
• Authors of publication: Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20045 - 20055
• a: 8.597 ± 0.0003 Å
• b: 18.9423 ± 0.0008 Å
• c: 11.595 ± 0.0005 Å
• α: 90°
• β: 107.2 ± 0.001°
• γ: 90°
• Cell volume: 1803.77 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No