Information card for entry 7011348

Structure parameters

• Formula: C34 H34 Br2 N6 Pd
• Calculated formula: C34 H34 Br2 N6 Pd0.5
• Title of publication: Bis-carbene complexes from oxidative addition of imidazolium C‒H bonds to palladium(0)
• Authors of publication: Gründemann, Stephan; Albrecht, Martin; Kovacevic, Anes; Faller, Jack W.; Crabtree, Robert H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 2163
• a: 26.174 ± 0.0009 Å
• b: 26.174 ± 0.0009 Å
• c: 9.5139 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6517.8 ± 0.5 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections: 0.832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No