Information card for entry 4304243

Structure parameters

• Formula: C29 H54 Cl6 F2 P2 Pd
• Calculated formula: C29 H54 Cl6 F2 P2 Pd
• SMILES: [Pd]1([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(F)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Xenon Difluoride Induced Aryl Iodide Reductive Elimination: a Simple Access to Difluoropalladium(II) Complexes
• Authors of publication: Ariela W. Kaspi; Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5 - 7
• a: 12.3484 ± 0.0001 Å
• b: 14.2086 ± 0.0001 Å
• c: 21.0151 ± 0.0003 Å
• α: 90°
• β: 103.303 ± 0.0004°
• γ: 90°
• Cell volume: 3588.23 ± 0.06 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No