Information card for entry 2243136

Structure parameters

• Chemical name: Bis(2-methoxyethyl xanthato-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II) acetone hemisolvate
• Formula: C15.5 H33 N2 O4.5 S4 Zn
• Calculated formula: C14 H30 N2 O4 S4 Zn
• Title of publication: Crystal structure and DFT study of a zinc xanthate complex
• Authors of publication: Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Rosair, Georgina M.; Fritsky, Igor O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1582 - 1585
• a: 9.604 ± 0.003 Å
• b: 22.785 ± 0.006 Å
• c: 11.374 ± 0.003 Å
• α: 90°
• β: 106.304 ± 0.012°
• γ: 90°
• Cell volume: 2388.8 ± 1.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes