Information card for entry 4076977

Structure parameters

• Formula: C32 H32 Br2 N4 Pd
• Calculated formula: C32 H32 Br2 N4 Pd
• SMILES: Br[Pd]([N]1Cc2c(cccc2)C=1Nc1c(C)cccc1C)(Br)[N]1Cc2c(cccc2)C=1Nc1c(cccc1C)C
• Title of publication: Palladium-Assisted Formation of Carbon−Carbon Bonds. Part 10.1Insertion Reactions of Isocyanides into the Pd−C Bond of Orthopalladated Primary Amines. Synthesis of 2-R-Aminoisoindolinium Salts (R =tBu, 2,6-Xylyl)
• Authors of publication: Vicente, José; Saura-Llamas, Isabel; Grünwald, Claus; Alcaraz, Carmen; Jones, Peter G.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 3587
• a: 7.9207 ± 0.0007 Å
• b: 8.9482 ± 0.0008 Å
• c: 11.1669 ± 0.0008 Å
• α: 95.579 ± 0.007°
• β: 100.911 ± 0.005°
• γ: 99.556 ± 0.007°
• Cell volume: 759.58 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for all reflections: 1.161
• Goodness-of-fit parameter for significantly intense reflections: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No