Information card for entry 4083842

Structure parameters

• Formula: C38 H34 N8 Pd S4
• Calculated formula: C38 H34 N8 Pd S4
• SMILES: N#CS[Pd](=C1N(c2ccccc2N1CCCSC#N)Cc1ccccc1)(=C1N(c2ccccc2N1CCCSC#N)Cc1ccccc1)SC#N
• Title of publication: Bis(functionalized NHC) Palladium(II) Complexes via a Postmodification Approach
• Authors of publication: Teng, Qiaoqiao; Upmann, Daniel; Ng Wijaya, Sheena Ai Zi; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140630123629004
• a: 10.9426 ± 0.0008 Å
• b: 9.6095 ± 0.0007 Å
• c: 18.7276 ± 0.0014 Å
• α: 90°
• β: 103.262 ± 0.002°
• γ: 90°
• Cell volume: 1916.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No