Information card for entry 7036836

Structure parameters

• Chemical name: [Cu(PPh3)tpym]BF4
• Formula: C34.5 H28.5 B Cl1.5 Cu F4 N3 P
• Calculated formula: C34.5 H28.5 B Cl1.5 Cu F3.9999 N3 P
• 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: 12.8635 ± 0.0006 Å
• b: 12.8635 Å
• c: 67.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9652.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No