Information card for entry 7032709

Structure parameters

• Formula: C42 H37 Br Cu N P2
• Calculated formula: C42 H37 Br Cu N P2
• SMILES: Br[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: 11.4725 ± 0.0006 Å
• b: 16.0533 ± 0.0011 Å
• c: 19.8384 ± 0.0017 Å
• α: 100.594 ± 0.005°
• β: 93.054 ± 0.004°
• γ: 94.3057 ± 0.0019°
• Cell volume: 3572.9 ± 0.4 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: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No