Information card for entry 7708985

Structure parameters

• Formula: C26 H46 Cl1.5 I0.5 N8 O1.75 Pd2 S2
• Calculated formula: C26 H46 Cl1.5 I0.5 N8 O1.75 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: 23.4302 ± 0.0005 Å
• b: 17.5754 ± 0.0005 Å
• c: 9.5225 ± 0.0002 Å
• α: 90°
• β: 97.86 ± 0.001°
• γ: 90°
• Cell volume: 3884.48 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No