Information card for entry 4072071

Structure parameters

• Formula: C23 H44 Cl3 O2 P Pd
• Calculated formula: C23 H44 Cl3 O2 P Pd
• SMILES: [Pd]([C@H]1[C@@H]2C[C@H]([C@H]([C@H]1C)C2)C(=O)OC)(Cl)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.C(Cl)Cl.[Pd]([C@@H]1[C@H]2C[C@@H]([C@@H]([C@@H]1C)C2)C(=O)OC)(Cl)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the Ester-Substituted Norbornene Polymerization
• Authors of publication: Takamiya, Ikuko; Yamashita, Makoto; Nozaki, Kyoko
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5347
• a: 12.052 ± 0.009 Å
• b: 10.073 ± 0.007 Å
• c: 22.418 ± 0.017 Å
• α: 90 ± 0.003°
• β: 104.159 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 2639 ± 3 ų
• Cell temperature: 103.15 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0329
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No