Information card for entry 1574989

Structure parameters

• Formula: C14 H17 B N2 O S Si
• Calculated formula: C14 H17 B N2 O S Si
• Title of publication: Tuning the emission properties of luminescent 1,2,3-diazaborinates.
• Authors of publication: Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 15086 - 15096
• a: 8.7713 ± 0.0001 Å
• b: 9.3831 ± 0.0001 Å
• c: 10.1855 ± 0.0001 Å
• α: 84.231 ± 0.001°
• β: 69.773 ± 0.001°
• γ: 75.245 ± 0.001°
• Cell volume: 760.579 ± 0.015 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.031
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No