Information card for entry 7134204

Structure parameters

• Formula: C26.25 H27.5 Bi Br2 Cl0.5 N2
• Calculated formula: C26 H27 Bi Br2 N2
• Title of publication: Room-temperature near-infrared phosphorescence of a bismuthinidene N,C,N pincer complex.
• Authors of publication: Deuter, Katharina L.; Balaba, Daisy J. J.; Linseis, Michael; Winter, Rainer F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 17
• Pages of publication: 3548 - 3551
• a: 13.2163 ± 0.0006 Å
• b: 8.2052 ± 0.0002 Å
• c: 28.5094 ± 0.0012 Å
• α: 90°
• β: 96.531 ± 0.004°
• γ: 90°
• Cell volume: 3071.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No