Information card for entry 7010826

Structure parameters

• Common name: Zn(MTT)2
• Chemical name: bis(3-hydroxy-4-methyl-2(3H)-thiazolethiolato-S,O)zinc(II)
• Formula: C8 H8 N2 O2 S4 Zn
• Calculated formula: C8 H8 N2 O2 S4 Zn
• SMILES: [Zn]12([S]=c3scc(n3O1)C)[S]=c1scc(n1O2)C
• Title of publication: Divalent complexes of 3-hydroxy-4-methyl-2(3H)-thiazolethione with Co–Zn: synthesis, X-ray crystal structures and the structure-directing influence of C–H⋯S interactionsElectronic supplementary information (ESI) available: lists of CSD refcodes retrieved from the database analyses and high-temperature PXRD profiles elucidating the solid-state structures of 3 and 4 following dehydration. See http://www.rsc.org/suppdata/dt/b1/b104203n/
• Authors of publication: Bond, Andrew D.; Jones, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 3045
• a: 7.6216 ± 0.0004 Å
• b: 7.6954 ± 0.0004 Å
• c: 11.7788 ± 0.0006 Å
• α: 105.147 ± 0.003°
• β: 96.21 ± 0.003°
• γ: 106.593 ± 0.003°
• Cell volume: 626.47 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No