Information card for entry 7004775

Structure parameters

• Formula: C28.25 H35 I2 N4 Pd
• Calculated formula: C27 H32 I2 N4 Pd
• Title of publication: Palladation of diimidazolium salts at the C4 position: access to remarkably electron-rich palladium(ii) centers
• Authors of publication: Heckenroth, Marion; Kluser, Evelyne; Neels, Antonia; Albrecht, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6242 - 6249
• a: 12.8204 ± 0.0015 Å
• b: 15.0692 ± 0.0017 Å
• c: 16.8311 ± 0.0019 Å
• α: 94.572 ± 0.013°
• β: 107.296 ± 0.013°
• γ: 104.04 ± 0.013°
• Cell volume: 2971.1 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No