Information card for entry 2214393

Structure parameters

• Chemical name: Bis{2-[(dimethylamino-κN)methyl]benzenethiolato-κS}zinc(II)
• Formula: C18 H24 N2 S2 Zn
• Calculated formula: C18 H24 N2 S2 Zn
• SMILES: c12c(cccc1)C[N](C)([Zn]1(S2)[N](Cc2c(cccc2)S1)(C)C)C
• Title of publication: Bis{2-[(dimethylamino-κ<i>N</i>)methyl]benzenethiolato-κ<i>S</i>}zinc(II)
• Authors of publication: Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.; Kleijn, Henk; van Koten, Gerard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1847 - m1847
• a: 10.1731 ± 0.0002 Å
• b: 14.1431 ± 0.0002 Å
• c: 6.4862 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 933.23 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes