Information card for entry 7124926

Structure parameters

• Formula: C67.5 H108 O13 S6 Zn4
• Calculated formula: C67.5 H108 O13 S6 Zn4
• 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: 13.8362 ± 0.0007 Å
• b: 15.0709 ± 0.0008 Å
• c: 20.3113 ± 0.001 Å
• α: 89.161 ± 0.004°
• β: 79.646 ± 0.004°
• γ: 73.544 ± 0.004°
• Cell volume: 3992.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1389
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.217
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No