Information card for entry 1569517

Structure parameters

• Formula: C60 H102 B2 N4 P4 Pd2
• Calculated formula: C60 H102 B2 N4 P4 Pd2
• 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: 10.1464 ± 0.0008 Å
• b: 11.2723 ± 0.0008 Å
• c: 15.0798 ± 0.001 Å
• α: 71.643 ± 0.006°
• β: 89.513 ± 0.006°
• γ: 83.927 ± 0.006°
• Cell volume: 1627.2 ± 0.2 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: 0.0871
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No