Information card for entry 4320064

Structure parameters

• Formula: C18 H24 Pd
• Calculated formula: C18 H24 Pd
• SMILES: c12ccccc1C(C)(C)C[Pd]1342[CH]2=[CH]1CC[CH]3=[CH]4CC2
• Title of publication: Synthesis and Insertion Reactions of the Cyclometalated Palladium-Alkyl Complexes Pd(CH2CMe2-o-C6H4)L2. Observation of a Pentacoordinated Intermediate in the Insertion of SO2
• Authors of publication: J. Cámpora; J. A. López; P. Palma; D. del Rio; E. Carmona; P. Valerga; C. Graiff; A. Tiripicchio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4116 - 4126
• a: 19.908 ± 0.005 Å
• b: 10.311 ± 0.004 Å
• c: 14.735 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3024.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No