Information card for entry 7700896

Structure parameters

• Formula: C57 H46 Cu2 F6 I2 N P3
• Calculated formula: C57 H46 Cu2 F6 I2 N P3
• Title of publication: Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes.
• Authors of publication: Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15687 - 15698
• a: 12.6116 ± 0.0007 Å
• b: 17.2115 ± 0.0008 Å
• c: 27.1045 ± 0.0009 Å
• α: 103.391 ± 0.003°
• β: 100.214 ± 0.004°
• γ: 101.155 ± 0.004°
• Cell volume: 5461.1 ± 0.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.0534
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No