Information card for entry 7700897

Structure parameters

• Formula: C61 H58 Cl4 Cu2 I2 N P3
• Calculated formula: C61 H58 Cl4 Cu2 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: 11.2312 ± 0.0002 Å
• b: 14.2065 ± 0.0003 Å
• c: 21.3424 ± 0.0004 Å
• α: 72.122 ± 0.001°
• β: 82.348 ± 0.001°
• γ: 67.366 ± 0.001°
• Cell volume: 2990.83 ± 0.1 ų
• Cell temperature: 160.15 K
• Ambient diffraction temperature: 160.15 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: 0.0367
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No