Information card for entry 7109194

Structure parameters

• Chemical name: Bis(2-(ethoxycarbonyl)-3-(diphenylsulfanylidene)-3H-indole)-palladium- dicarbonyl tri-dichloromethane solute
• Formula: C49 H44 Cl8 N2 O4 Pd S2
• Calculated formula: C49 H44 Cl8 N2 O4 Pd S2
• Title of publication: Facile carbon-sulfur bond cleavage in diarylsulfonium ylides: a catalytic sulfur-to-silicon group transfer
• Authors of publication: Xueliang Huang; Richard Goddard; Nuno Maulide
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4292
• a: 28.301 ± 0.002 Å
• b: 20.495 ± 0.002 Å
• c: 18.0924 ± 0.0013 Å
• α: 90°
• β: 105.211 ± 0.007°
• γ: 90°
• Cell volume: 10126.5 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No