Information card for entry 1569520

Structure parameters

• Formula: C27 H49 B N2 O2 P2 Pd
• Calculated formula: C27 H49 B N2 O2 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: 11.8927 ± 0.0007 Å
• b: 19.9252 ± 0.0009 Å
• c: 13.4943 ± 0.0008 Å
• α: 90°
• β: 112.762 ± 0.007°
• γ: 90°
• Cell volume: 2948.6 ± 0.3 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 7
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No