Information card for entry 4117996

Structure parameters

• Formula: C23 H41 Cl7 O P2 Pd
• Calculated formula: C23 H41 Cl7 O P2 Pd
• SMILES: [Pd]1([P](c2ccccc2P(=[O]1)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C)(C)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis of Functional Polyolefins Using Cationic Bisphosphine Monoxide-Palladium Complexes
• Authors of publication: Brad P. Carrow; Kyoko Nozaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8802 - 8805
• a: 10.277 ± 0.003 Å
• b: 18.368 ± 0.006 Å
• c: 17.318 ± 0.005 Å
• α: 90°
• β: 92.988 ± 0.005°
• γ: 90°
• Cell volume: 3264.6 ± 1.7 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: 0.0463
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No