Information card for entry 7004773

Structure parameters

• Formula: C12 H17.5 I2 N4.5 Pd
• Calculated formula: C12 H17.5 I2 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: 13.7424 ± 0.0013 Å
• b: 18.4993 ± 0.0017 Å
• c: 6.957 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1768.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No