Information card for entry 7719244

Structure parameters

• Formula: C33 H29 Cl2 N3 Pd S
• Calculated formula: C33 H29 Cl2 N3 Pd S
• Title of publication: IPaul^Het - spatially-defined, wingtip-flexible, N,C-chelating oxazole and thiazole donor N-heterocyclic carbene ligands.
• Authors of publication: Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14267 - 14276
• a: 8.2937 ± 0.0005 Å
• b: 9.1141 ± 0.0004 Å
• c: 20.2862 ± 0.0009 Å
• α: 92.378 ± 0.004°
• β: 90.992 ± 0.004°
• γ: 111.94 ± 0.005°
• Cell volume: 1420.25 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.0854
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No