Information card for entry 7046519

Structure parameters

• Formula: C32 H39 Br2 N5 Pd
• Calculated formula: C32 H39 Br2 N5 Pd
• Title of publication: A palladacyclic N-heterocyclic carbene system used to probe the donating abilities of monoanionic chelators.
• Authors of publication: Yan, Xuechao; Feng, Rui; Yan, Chunhui; Lei, Peng; Guo, Shuai; Huynh, Han Vinh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 7830 - 7838
• a: 32.35 ± 0.0003 Å
• b: 8.6596 ± 0.0001 Å
• c: 25.0145 ± 0.0002 Å
• α: 90°
• β: 94.521 ± 0.001°
• γ: 90°
• Cell volume: 6985.71 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0714
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No