Information card for entry 4076256

Structure parameters

• Formula: C32 H29 I N P Pd
• Calculated formula: C32 H29 I N P Pd
• SMILES: [Pd]1(I)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](c2ccccc12)(C)Cc1ccccc1
• 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: 10.488 ± 0.001 Å
• b: 13.622 ± 0.001 Å
• c: 19.113 ± 0.001 Å
• α: 100.81 ± 0.02°
• β: 91.99 ± 0.02°
• γ: 97.95 ± 0.02°
• Cell volume: 2651.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1194
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No