Information card for entry 1569514

Structure parameters

• Formula: C31 H51 B N2 P2 Pd
• Calculated formula: C31 H51 B N2 P2 Pd
• 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: 12.9206 ± 0.0009 Å
• b: 17.1954 ± 0.0013 Å
• c: 14.897 ± 0.001 Å
• α: 90°
• β: 103.79 ± 0.007°
• γ: 90°
• Cell volume: 3214.3 ± 0.4 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: 0.0882
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No