Information card for entry 2311418

Structure parameters

• Chemical name: Bis[<i>N</i>-2-hydroxyethyl,<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,\ <i>S</i>)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-\ κ<i>N</i>^1^)zinc(II)
• Formula: C20 H26 N6 O2 S4 Zn
• Calculated formula: C20 H26 N6 O2 S4 Zn
• SMILES: [Zn]12([S]=C(S1)N(CCO)C)([S]=C(S2)N(CCO)C)[n]1ccc(cc1)/C=N/N=C/c1ccncc1
• Title of publication: Bis[<i>N</i>-2-hy-droxy-ethyl,<i>N</i>-methyl-dithio-carbamato-κ²<i>S</i>,<i>S</i>)'-4-{[(pyridin-4-yl-methyl-idene)hydrazinyl-idene}meth-yl]pyridine-κ<i>N</i>¹)zinc(II): crystal structure and Hirshfeld surface analysis.
• Authors of publication: Broker, Grant A.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1458 - 1464
• a: 11.499 ± 0.004 Å
• b: 8.571 ± 0.0019 Å
• c: 25.945 ± 0.007 Å
• α: 90°
• β: 95.515 ± 0.008°
• γ: 90°
• Cell volume: 2545.2 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0543
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No