Information card for entry 4067724

Structure parameters

• Formula: C48 H40 Cl4 P2 Zn
• Calculated formula: C48 H40 Cl4 P2 Zn
• SMILES: c1cccc(c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Zn](Cl)([Cl-])[Cl-].c1cccc(c1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Isolation and Structures of Two New Organozinc Anions from Solutions Rich in Halide Ions
• Authors of publication: MacIntosh, Ian S.; Sherren, Cody N.; Robertson, Katherine N.; Masuda, Jason D.; Pye, Cory C.; Clyburne, Jason A. C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2063
• a: 10.9888 ± 0.0011 Å
• b: 19.491 ± 0.003 Å
• c: 20.269 ± 0.002 Å
• α: 90°
• β: 91.622 ± 0.001°
• γ: 90°
• Cell volume: 4339.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No