Information card for entry 7709963

Structure parameters

• Formula: C32 H72 O8 S4 Zn4
• Calculated formula: C32 H72 O8 S4 Zn4
• SMILES: C(C)(C)(C)[Zn]12[O]3S(C(C)(C)C)=[O][Zn]4(C(C)(C)C)[O](S(C(C)(C)C)=[O]2)[Zn]2(C(C)(C)C)[O]=S(C(C)(C)C)[O]1[Zn]3(C(C)(C)C)[O]=S(C(C)(C)C)[O]42
• Title of publication: Exploring the reactivity of homoleptic organozincs towards SO2: Synthesis and structure of a homologous series of organozinc sulfinates
• Authors of publication: Tulewicz, Adam; Szejko, Vadim; Justyniak, Iwona; Wolska, Małgorzata; Lewinski, Janusz
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.9492 ± 0.0003 Å
• b: 12.8183 ± 0.0007 Å
• c: 16.1223 ± 0.0005 Å
• α: 86.157 ± 0.003°
• β: 78.812 ± 0.002°
• γ: 75.515 ± 0.003°
• Cell volume: 2345.05 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No