Information card for entry 1571257

Structure parameters

• Formula: C43 H43 N3 P2
• Calculated formula: C43 H43 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: 12.4142 ± 0.0013 Å
• b: 15.1667 ± 0.0013 Å
• c: 18.9994 ± 0.0018 Å
• α: 90°
• β: 92.258 ± 0.004°
• γ: 90°
• Cell volume: 3574.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0422
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No