Information card for entry 7716928

Structure parameters

• Formula: C45 H37 Ag Cl N3 S
• Calculated formula: C45 H37 Ag Cl N3 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: 10.6849 ± 0.0006 Å
• b: 32.091 ± 0.002 Å
• c: 12.6278 ± 0.0008 Å
• α: 90°
• β: 104.579 ± 0.006°
• γ: 90°
• Cell volume: 4190.5 ± 0.5 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: 0.1191
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No