Information card for entry 7019485

Structure parameters

• Formula: C42 H36 B2 Cl4 N4
• Calculated formula: C42 H36 B2 Cl4 N4
• Title of publication: Syntheses and photophysical properties of new iminopyrrolyl boron complexes and their application in efficient single-layer non-doped OLEDs prepared by spin coating.
• Authors of publication: Suresh, D.; Gomes, Clara S. B.; Gomes, Pedro T.; Di Paolo, Roberto E.; Maçanita, António L; Calhorda, Maria José; Charas, Ana; Morgado, Jorge; Teresa Duarte, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8502 - 8505
• a: 8.1967 ± 0.0003 Å
• b: 11.7901 ± 0.0004 Å
• c: 19.9616 ± 0.0006 Å
• α: 90°
• β: 95.809 ± 0.002°
• γ: 90°
• Cell volume: 1919.18 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No