Information card for entry 4103210

Structure parameters

• Common name: [SiP(iPr)3]Pd-Cl
• Formula: C37 H56 Cl3 P3 Pd Si
• Calculated formula: C37 H56 Cl3 P3 Pd Si
• SMILES: [Pd]123(Cl)[Si](c4c(cccc4)[P]3(C(C)C)C(C)C)(c3c([P]2(C(C)C)C(C)C)cccc3)c2c([P]1(C(C)C)C(C)C)cccc2.C(Cl)Cl
• Title of publication: Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes
• Authors of publication: Charlene Tsay; Neal P. Mankad; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13975 - 13977
• a: 10.1305 ± 0.0007 Å
• b: 24.594 ± 0.002 Å
• c: 15.8544 ± 0.0013 Å
• α: 90°
• β: 91.071 ± 0.002°
• γ: 90°
• Cell volume: 3949.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No