Information card for entry 7716931

Structure parameters

• Formula: C45 H37 Cl2 N3 O Pd S
• Calculated formula: C45 H37 Cl2 N3 O Pd S
• Title of publication: IPr*Thia – wingtip-flexible, sterically hindered, modular, N,C/S,C-chelating thiazole-donor N-heterocyclic carbene ligands
• Authors of publication: Podchorodecka, Pamela; Dziuk, Błażej; Junga, Robert; Szostak, Roman; Szostak, Michal; Bisz, Elwira
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 14975 - 14985
• a: 25.3287 ± 0.0003 Å
• b: 9.4913 ± 0.0001 Å
• c: 35.0477 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8425.55 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No