Information card for entry 7708983

Structure parameters

• Formula: C36 H56 N6 Pd S2
• Calculated formula: C36 H56 N6 Pd S2
• Title of publication: Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes
• Authors of publication: Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.7132 ± 0.0004 Å
• b: 16.3123 ± 0.0006 Å
• c: 11.7957 ± 0.0005 Å
• α: 90°
• β: 115.402 ± 0.001°
• γ: 90°
• Cell volume: 1862.09 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No