Information card for entry 1571259

Structure parameters

• Formula: C43 H40 Bi N3 P2
• Calculated formula: C43 H40 Bi N3 P2
• Title of publication: Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.
• Authors of publication: Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 6036 - 6043
• a: 12.5454 ± 0.001 Å
• b: 14.8524 ± 0.0015 Å
• c: 20.97 ± 0.002 Å
• α: 72.803 ± 0.004°
• β: 83.022 ± 0.003°
• γ: 86.907 ± 0.003°
• Cell volume: 3704.3 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No