Information card for entry 7700892

Structure parameters

• Formula: C60.5 H40 Cl Cu2 F18 I2 N P3
• Calculated formula: C60.5 H40 Cl Cu2 F18 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: 15.2045 ± 0.001 Å
• b: 15.6811 ± 0.0006 Å
• c: 15.7442 ± 0.001 Å
• α: 90.236 ± 0.004°
• β: 106.17 ± 0.005°
• γ: 116.415 ± 0.004°
• Cell volume: 3192.9 ± 0.4 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No