Information card for entry 7719243

Structure parameters

• Formula: C66 H58 Ag2 Cl2 N6 S2
• Calculated formula: C66 H58 Ag2 Cl2 N6 S2
• 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: 21.5289 ± 0.0016 Å
• b: 11.1258 ± 0.0011 Å
• c: 24.934 ± 0.003 Å
• α: 90°
• β: 103.427 ± 0.009°
• γ: 90°
• Cell volume: 5809.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No