Information card for entry 7708987

Structure parameters

• Formula: C46 H58 Cl12 I2 N8 Pd2 S2
• Calculated formula: C46 H58 Cl12 I2 N8 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: 11.1677 ± 0.0011 Å
• b: 14.0905 ± 0.0014 Å
• c: 20.73 ± 0.002 Å
• α: 90°
• β: 92.045 ± 0.002°
• γ: 90°
• Cell volume: 3260 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No