Information card for entry 4066510

Structure parameters

• Formula: C23 H29 F6 N2 P S
• Calculated formula: C23 H29 F6 N2 P S
• Title of publication: Thioether-Functionalized N-Heterocyclic Carbenes: Mono- and Bis-(S,CNHC) Palladium Complexes, Catalytic C−C Coupling, and Characterization of a Unique Ag4I4(S,CNHC)2Planar Cluster†
• Authors of publication: Fliedel, Christophe; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5614
• a: 11.1279 ± 0.0006 Å
• b: 19.1377 ± 0.0006 Å
• c: 15.6504 ± 0.0006 Å
• α: 90°
• β: 130.591 ± 0.003°
• γ: 90°
• Cell volume: 2531 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No