Information card for entry 4077034

Structure parameters

• Formula: C19 H30 Cl3 N Pd
• Calculated formula: C19 H30 Cl3 N Pd
• SMILES: [Pd]123(Cl)(Cl)(Cl)[C]4(=[C]1([C]2(=[C]34C)C)C(C)(C)C)C(C)(C)C.[nH+]1ccccc1
• Title of publication: Ring Methyl Activation of 1,2-Dimethyl-3,4-di(tert-butyl)cyclobutadiene Complexes of Palladium Givingexo-Methylene-η3-cyclobutenyl Complexes of Palladium
• Authors of publication: Mashima, Kazushi; Shimizu, Daisuke; Yamagata, Tsuneaki; Tani, Kazuhide
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5136
• a: 12.587 ± 0.003 Å
• b: 16.097 ± 0.003 Å
• c: 10.841 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No