Information card for entry 7039260

Structure parameters

• Formula: C66 H78 Br2 N6 O6 Pd
• Calculated formula: C66 H78 Br2 N6 O6 Pd
• Title of publication: Chiral linker-bridged bis-N-heterocyclic carbenes: design, synthesis, palladium complexes, and catalytic properties.
• Authors of publication: Zhang, Dao; He, Yu; Tang, Junkai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 29
• Pages of publication: 11699 - 11709
• a: 20.197 ± 0.017 Å
• b: 18.197 ± 0.015 Å
• c: 18.417 ± 0.015 Å
• α: 90°
• β: 96.093 ± 0.014°
• γ: 90°
• Cell volume: 6730 ± 10 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1786
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No