Information card for entry 7705694

Structure parameters

• Formula: C22 H46 N2 O2 S4 Zn
• Calculated formula: C22 H46 N2 O2 S4 Zn
• Title of publication: Synthesis and characterization of zinc di(<i>O</i>-2,2-dimethylpentan-3-yl dithiocarbonates) bearing pyridine or tetramethylethylenediamine coligands and investigation of their thermal conversion mechanisms towards nanocrystalline zinc sulfide.
• Authors of publication: Vakalopoulou, Efthymia; Buchmaier, Christine; Pein, Andreas; Saf, Robert; Fischer, Roland C.; Torvisco, Ana; Warchomicka, Fernando; Rath, Thomas; Trimmel, Gregor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14564 - 14575
• a: 11.1922 ± 0.0003 Å
• b: 11.5319 ± 0.0003 Å
• c: 22.9826 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2966.3 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No