Information card for entry 7150621

Structure parameters

• Common name: IMes-Pd(dmba)Cl
• Chemical name: (chloro (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) (k2-N,C-dimethylbenzylamine)palladium (II)
• Formula: C30 H36.5 Cl N3 O0.25 Pd
• Calculated formula: C30 H36.5 Cl N3 O0.25 Pd
• Title of publication: N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck‒Mizoroki reaction
• Authors of publication: Peh, Guang-Rong; Kantchev, Eric Assen B.; Zhang, Chi; Ying, Jackie Y.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2110 - 2119
• a: 13.5773 ± 0.0006 Å
• b: 13.5923 ± 0.0006 Å
• c: 15.9863 ± 0.0007 Å
• α: 87.224 ± 0.001°
• β: 71.872 ± 0.001°
• γ: 84.466 ± 0.001°
• Cell volume: 2790.2 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No