Information card for entry 1518875

Structure parameters

• Formula: C42 H84 N0 O26 Zn8
• Calculated formula: C42 H84 O26 Zn8
• SMILES: [Zn]1234[O]5[Zn]678[O]([O]1[Zn]19%10[O]([Zn]%11%12%13[O]=C(O[Zn]%14([O]=C(O3)CC)[O]4%11[Zn]3([O]5C(C)(C)C)([O]([Zn]4([O]%12[O]9C(C)(C)C)([O]([O]63)C(C)(C)C)[O]=C(O[Zn]([O]=C(O1)CC)(OC(=[O]7)CC)[O]8%104)CC)[O]%13C(C)(C)C)[O]=C(O%14)CC)CC)[O]2C(C)(C)C)C(C)(C)C
• Title of publication: Development of zinc alkyl/air systems as radical initiators for organic reactions
• Authors of publication: Kubisiak, Marcin; Zelga, Karolina; Bury, Wojciech; Justyniak, Iwona; Budny-Godlewski, Krzysztof; Ochal, Zbigniew; Lewiński, Janusz
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 3102
• a: 22.502 ± 0.002 Å
• b: 12.882 ± 0.0012 Å
• c: 21.773 ± 0.0014 Å
• α: 90°
• β: 98.995 ± 0.005°
• γ: 90°
• Cell volume: 6233.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1605
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No