Information card for entry 1569515

Structure parameters

• Formula: C27 H51 B N2 P2 Pd
• Calculated formula: C27 H51 B N2 P2 Pd
• SMILES: [Pd]12([P](C(C)(C)C)(C(C)(C)C)CN3c4ccccc4N(B23)C[P]1(C(C)(C)C)C(C)(C)C)CCC
• 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: 7.8548 ± 0.0001 Å
• b: 11.0879 ± 0.0001 Å
• c: 17.8239 ± 0.0002 Å
• α: 104.218 ± 0.001°
• β: 94.747 ± 0.001°
• γ: 100.443 ± 0.001°
• Cell volume: 1466.62 ± 0.03 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 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: 0.0273
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No