Information card for entry 4105614

Structure parameters

• Chemical name: 1,1'-Dimethyl-3,3'-Methylene-4-Diimidazolin-2,2'-Diylidene-Palladium(IV) Tetrachloride
• Formula: C21 H30 Cl14 N8 Pd2
• Calculated formula: C21 H30 Cl14 N8 Pd2
• Title of publication: Bis-N-heterocyclic Carbene Palladium(IV) Tetrachloride Complexes: Synthesis, Reactivity, and Mechanisms of Direct Chlorinations and Oxidations of Organic Substrates
• Authors of publication: A. Scott McCall; Hongwang Wang; John M. Desper; Stefan Kraft
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1832 - 1848
• a: 7.6703 ± 0.0006 Å
• b: 18.5451 ± 0.0011 Å
• c: 13.1767 ± 0.0008 Å
• α: 90°
• β: 91.644 ± 0.004°
• γ: 90°
• Cell volume: 1873.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No