Information card for entry 7011349

Structure parameters

• Formula: C53 H66 Br4 Cl12 N12 Pd2
• Calculated formula: C53 H56 Br4 Cl12 N12 Pd2
• 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: 19.4495 ± 0.0005 Å
• b: 9.6816 ± 0.0003 Å
• c: 20.3347 ± 0.0005 Å
• α: 90°
• β: 104.809 ± 0.002°
• γ: 90°
• Cell volume: 3701.88 ± 0.18 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No