Information card for entry 7032710

Structure parameters

• Formula: C42 H37 Cu I N P2
• Calculated formula: C42 H37 Cu I N P2
• SMILES: I[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C
• Title of publication: Simple and extremely efficient blue emitters based on mononuclear Cu(i)-halide complexes with delayed fluorescence.
• Authors of publication: Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17317 - 17323
• a: 11.641 ± 0.003 Å
• b: 16.112 ± 0.005 Å
• c: 19.967 ± 0.006 Å
• α: 100.657 ± 0.005°
• β: 92.322 ± 0.005°
• γ: 94.296 ± 0.003°
• Cell volume: 3664.4 ± 1.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No