Information card for entry 7004774

Structure parameters

• Formula: C27 H32 I2 N4 Pd
• Calculated formula: C27 H32 I2 N4 Pd
• SMILES: c12cn(c(C)[n+]1Cn1c(C)[n+](cc1[Pd]2(I)I)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 9.8664 ± 0.0011 Å
• b: 12.3939 ± 0.0015 Å
• c: 12.8016 ± 0.0013 Å
• α: 66.71 ± 0.008°
• β: 83.725 ± 0.009°
• γ: 78.53 ± 0.009°
• Cell volume: 1408.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No