Information card for entry 4067723

Structure parameters

• Formula: C48 H40 Br4 P2 Zn
• Calculated formula: C48 H40 Br4 P2 Zn
• SMILES: c1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.Br[Zn](Br)([Br-])[Br-].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: 11.182 ± 0.003 Å
• b: 19.633 ± 0.006 Å
• c: 20.531 ± 0.005 Å
• α: 90°
• β: 91.802 ± 0.003°
• γ: 90°
• Cell volume: 4505 ± 2 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: 0.0706
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No