Information card for entry 7104192

Structure parameters

• Formula: C17 H19 Cl3 N P S Zn
• Calculated formula: C17 H19 Cl3 N P S Zn
• SMILES: [Zn]([N]1=C(SCC1)C[P+](C)(c1ccccc1)c1ccccc1)(Cl)(Cl)Cl
• Title of publication: Facile dichloromethane activation and phosphine methylation. Isolation of unprecedented zwitterionic organozinc and organocobalt intermediates.
• Authors of publication: Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 890 - 892
• a: 8.9222 ± 0.0002 Å
• b: 17.209 ± 0.0009 Å
• c: 13.8494 ± 0.0007 Å
• α: 90°
• β: 100.946 ± 0.003°
• γ: 90°
• Cell volume: 2087.78 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No