Information card for entry 4038897

Structure parameters

• Formula: C38 H36 Cl3 N3 Pd
• Calculated formula: C38 H36 Cl3 N3 Pd
• Title of publication: Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes
• Authors of publication: Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 21.7121 ± 0.0008 Å
• b: 21.2886 ± 0.0008 Å
• c: 16.5409 ± 0.0007 Å
• α: 90°
• β: 111.614 ± 0.002°
• γ: 90°
• Cell volume: 7108 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No