Information card for entry 4115195

Structure parameters

• Formula: C58 H84 Al2 Cl14 N4 Pd2
• Calculated formula: C58 H84 Al2 Cl14 N4 Pd2
• SMILES: C1(C(=[N]([Pd]2([N]=1c1c(cccc1C(C)C)C(C)C)[Cl][Pd]1([N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[Cl]2)c1c(cccc1C(C)C)C(C)C)C)C.[Al](Cl)(Cl)(Cl)[Cl-].ClCCl.[Al](Cl)(Cl)(Cl)[Cl-].C(Cl)Cl
• Title of publication: Diametrically Opposite Trends in Alkene Insertion in Late and Early Transition Metal Compounds: Relevance to Transition-Metal-Catalyzed Polymerization of Polar Vinyl Monomers
• Authors of publication: Myeongsoon Kang; Ayusman Sen; Lev Zakharov; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12080 - 12081
• a: 12.9031 ± 0.0006 Å
• b: 13.3823 ± 0.0007 Å
• c: 13.8935 ± 0.0007 Å
• α: 117.851 ± 0.001°
• β: 117.374 ± 0.001°
• γ: 91.063 ± 0.001°
• Cell volume: 1798.51 ± 0.16 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: 0.0447
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0763
• 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