Information card for entry 7004776

Structure parameters

• Formula: C15 H24.5 I3 N4.5 Pd
• Calculated formula: C15 H24.5 I3 N4.5 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: 13.9765 ± 0.0012 Å
• b: 9.9155 ± 0.0006 Å
• c: 33.885 ± 0.003 Å
• α: 90°
• β: 97.039 ± 0.01°
• γ: 90°
• Cell volume: 4660.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No