Information card for entry 7717790

Structure parameters

• Formula: C45.5 H40 Bi Cl3 N2
• Calculated formula: C45.5 H40 Bi Cl3 N2
• Title of publication: Room-temperature phosphorescence and static excimer excitation of pyrene-modified (<i>NCN</i>) pincer bismuth complexes.
• Authors of publication: Geppert, Marcel; Müller, Michelle; Linseis, Michael; Winter, Rainer F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 1779 - 1783
• a: 14.0114 ± 0.0006 Å
• b: 20.1875 ± 0.0008 Å
• c: 15.1534 ± 0.0006 Å
• α: 90°
• β: 114.972 ± 0.003°
• γ: 90°
• Cell volume: 3885.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1136
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No