Information card for entry 7124927

Structure parameters

• Formula: C16 H40 N4 O8 S3 Zn2
• Calculated formula: C16 H40 N4 O8 S3 Zn2
• Title of publication: Activation of SO₂ by [Zn(Cp*)₂] and [(Cp*)Zn^I-Zn^I(Cp*)].
• Authors of publication: Kelly, Rory P.; Kazeminejad, Neda; Lamsfus, Carlos A.; Maron, Laurent; Roesky, Peter W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 89
• Pages of publication: 13090 - 13093
• a: 12.903 ± 0.0008 Å
• b: 15.8305 ± 0.0008 Å
• c: 13.4913 ± 0.0009 Å
• α: 90°
• β: 103.699 ± 0.005°
• γ: 90°
• Cell volume: 2677.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No