Information card for entry 4076260

Structure parameters

• Formula: C36 H45 I N O3 P Pd
• Calculated formula: C36 H45 I N O3 P Pd
• SMILES: I[Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](c2c(C1C(=O)OCC)cccc2)(C)CCC.CCOCC
• Title of publication: Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond
• Authors of publication: Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1438
• a: 20.337 ± 0.001 Å
• b: 14.775 ± 0.001 Å
• c: 23.608 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7093.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2744
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No