Information card for entry 4113974

Structure parameters

• Formula: C44.5 H71 Br Fe O P2 Pd
• Calculated formula: C38 H57 Br Fe P2 Pd
• SMILES: [Pd]1(Br)([P]([c]23[Fe]456789%10([c]2([cH]4[cH]5[cH]36)[C@H]([P]1(C(C)(C)C)C(C)(C)C)C)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C1CCCCC1)C1CCCCC1)c1ccccc1
• Title of publication: Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature
• Authors of publication: Amy H. Roy; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8704 - 8705
• a: 22.412 ± 0.005 Å
• b: 24.106 ± 0.005 Å
• c: 16.388 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8854 ± 3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No