Information card for entry 1569513

Structure parameters

• Formula: C26 H49 B N2 P2 Pd
• Calculated formula: C26 H49 B N2 P2 Pd
• SMILES: [Pd]12([P](CN3c4ccccc4N(B23)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)CC
• Title of publication: Comparative study of CO₂ insertion into pincer supported palladium alkyl and aryl complexes.
• Authors of publication: Deziel, Anthony P.; Gahlawat, Sahil; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 30
• Pages of publication: 8164 - 8179
• a: 10.6371 ± 0.0003 Å
• b: 19.9621 ± 0.0005 Å
• c: 14.4091 ± 0.0003 Å
• α: 90°
• β: 109.29 ± 0.003°
• γ: 90°
• Cell volume: 2887.84 ± 0.14 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0861
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No