Information card for entry 7104121

Structure parameters

• Formula: C38 H58 P2 Pd Si4
• Calculated formula: C38 H58 P2 Pd Si4
• SMILES: [Pd]([P]12C(=C(C(C(=C1[Si](C)(C)C)C)c1c2cccc1)C)[Si](C)(C)C)[P]12C(=C(C(C(=C1[Si](C)(C)C)C)c1c2cccc1)C)[Si](C)(C)C
• Title of publication: 1-phosphabarrelene complexes of palladium and their use in Suzuki-Miyaura coupling reactions.
• Authors of publication: Blug, Matthias; Guibert, Clément; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 201 - 203
• a: 10.31 ± 0.001 Å
• b: 18.846 ± 0.001 Å
• c: 43.61 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8473.5 ± 1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No