Information card for entry 4072072

Structure parameters

• Formula: C22 H42 Cl O2 P Pd
• Calculated formula: C22 H42 Cl O2 P Pd
• SMILES: [Pd](Cl)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@H]1[C@H]([C@@H]2C[C@@H]([C@H]1C2)C(=O)OC)C.[Pd](Cl)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C@@H]1[C@@H]([C@H]2C[C@H]([C@@H]1C2)C(=O)OC)C
• 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: 16.081 ± 0.006 Å
• b: 8.681 ± 0.003 Å
• c: 17.306 ± 0.006 Å
• α: 90°
• β: 99.208 ± 0.0017°
• γ: 90°
• Cell volume: 2384.8 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No