Information card for entry 7032708

Structure parameters

• Formula: C42 H37 Cl Cu N P2
• Calculated formula: C42 H37 Cl Cu N P2
• SMILES: [Cu](Cl)([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: 9.973 ± 0.003 Å
• b: 24.648 ± 0.006 Å
• c: 15.235 ± 0.004 Å
• α: 90°
• β: 101.227 ± 0.003°
• γ: 90°
• Cell volume: 3673.3 ± 1.7 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No