Information card for entry 7104193

Structure parameters

• Formula: C38 H34 Cl4 P2 Zn2
• Calculated formula: C38 H34 Cl4 P2 Zn2
• SMILES: C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[Zn]1([Cl][Zn](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)([Cl]1)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: 14.5489 ± 0.0007 Å
• b: 13.7296 ± 0.0003 Å
• c: 18.8997 ± 0.0008 Å
• α: 90°
• β: 104.53 ± 0.002°
• γ: 90°
• Cell volume: 3654.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No