Information card for entry 4084991

Structure parameters

• Formula: C24 H29 N Pd Si
• Calculated formula: C24 H29 N Pd Si
• SMILES: [Pd]12345(C[Si](c6ccccc6)(c6ccccc6)C[N]61CCCCC6)[cH]1[cH]3[cH]4[cH]5[cH]21
• Title of publication: Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle
• Authors of publication: Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7329
• a: 11.9477 ± 0.0002 Å
• b: 11.9477 ± 0.0002 Å
• c: 32.6793 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4664.89 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No