Information card for entry 4066975

Structure parameters

• Formula: C38 H54 Cl4 N2 O2 Pd
• Calculated formula: C38 H54 Cl4 N2 O2 Pd
• SMILES: [Pd]12(OC(=O)CC(=C)C)(=C3N(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[CH2]=[C]1(C2)C.ClCCl.ClCCl
• Title of publication: The Reaction of Carbon Dioxide with Palladium Allyl Bonds.
• Authors of publication: Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Hruszkewycz, Damian P.; Incarvito, Christopher D.; Schmeier, Timothy J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6369 - 6376
• a: 18.6604 ± 0.0018 Å
• b: 12.5634 ± 0.0012 Å
• c: 17.8121 ± 0.0017 Å
• α: 90°
• β: 98.961 ± 0.002°
• γ: 90°
• Cell volume: 4124.9 ± 0.7 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No