Information card for entry 7718843

Structure parameters

• Formula: C86 H62 Cl12 F12 N6 O4
• Calculated formula: C83 H59 Cl3 F12 N6 O4
• Title of publication: The influence of charge transfer on the emissive properties of pyridine dipyrrolide bismuth complexes.
• Authors of publication: Deuter, Katharina L.; Vollmar, Katharina; Rieser, Jan; Linseis, Michael; Winter, Rainer F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 9921 - 9929
• a: 15.138 ± 0.003 Å
• b: 15.4845 ± 0.0018 Å
• c: 18.698 ± 0.002 Å
• α: 94.7 ± 0.009°
• β: 97.835 ± 0.013°
• γ: 98.35 ± 0.013°
• Cell volume: 4272.7 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No