Information card for entry 4084990

Structure parameters

• Formula: C24 H29 N Pd Si
• Calculated formula: C24 H29 N Pd Si
• SMILES: [Pd]12345([N]6(C[Si](C1)(c1ccccc1)c1ccccc1)CCCCC6)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 12.111 ± 0.0017 Å
• b: 12.111 ± 0.0017 Å
• c: 33.215 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4871.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No