Information card for entry 7101797

Structure parameters

• Formula: C20 H40 Cl N3 O Pd
• Calculated formula: C20 H40 Cl N3 O Pd
• Title of publication: Synthesis and reactivity of alkyl-palladium N-heterocyclic carbene complexes.
• Authors of publication: Esposito, Oriana; Lewis, Alexandra K de K; Hitchcock, Peter B; Caddick, Stephen; Cloke, F Geoffrey N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1157 - 1159
• a: 9.6642 ± 0.0003 Å
• b: 23.1895 ± 0.0005 Å
• c: 10.4673 ± 0.0003 Å
• α: 90°
• β: 95.324 ± 0.001°
• γ: 90°
• Cell volume: 2335.69 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No