Information card for entry 7716930

Structure parameters

• Formula: C47 H41 Cl6 N3 Pd S
• Calculated formula: C47 H41 Cl6 N3 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
• a: 13.466 ± 0.003 Å
• b: 11.2456 ± 0.0011 Å
• c: 28.723 ± 0.006 Å
• α: 90°
• β: 96.01 ± 0.016°
• γ: 90°
• Cell volume: 4325.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No