Information card for entry 4073976

Structure parameters

• Formula: C35 H39 Cl11 N4 Pd Si
• Calculated formula: C35 H39 Cl11 N4 Pd Si
• SMILES: c1(C)cc(C)n2C(n3c(cc(C)[n]3[Pd](Cl)(Cl)[n]12)C)[Si](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Mechanism of Ethylene Oligomerization by a Cationic Palladium(II) Alkyl Complex that Contains a (3,5-Me2-pyrazolyl)2CHSi(p-tolyl)3) Ligand
• Authors of publication: Conley, Matthew P.; Burns, Christopher T.; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6750 - 6759
• a: 13.379 ± 0.002 Å
• b: 18.531 ± 0.003 Å
• c: 20.735 ± 0.004 Å
• α: 114.939 ± 0.003°
• β: 103.056 ± 0.003°
• γ: 92.893 ± 0.003°
• Cell volume: 4478.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No