Information card for entry 7708984

Structure parameters

• Formula: C22 H42 Cl2 N12 O6 Pd2 S2
• Calculated formula: C22 H42 Cl2 N12 O6 Pd2 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: 9.1475 ± 0.0003 Å
• b: 10.4335 ± 0.0004 Å
• c: 11.9175 ± 0.0004 Å
• α: 83.335 ± 0.001°
• β: 80.571 ± 0.001°
• γ: 64.656 ± 0.001°
• Cell volume: 1012.71 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No