Information card for entry 7010827

Structure parameters

• Common name: Cu(MTT)2
• Chemical name: bis(3-hydroxy-4-methyl-2(3H)-thiazolethiolato-S,O)copper(II)
• Formula: C8 H8 Cu N2 O2 S4
• Calculated formula: C8 H8 Cu0.5 N2 O2 S4
• 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: 4.0859 ± 0.0002 Å
• b: 12.7571 ± 0.0008 Å
• c: 11.9876 ± 0.0007 Å
• α: 90°
• β: 97.01 ± 0.007°
• γ: 90°
• Cell volume: 620.17 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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
• Goodness-of-fit parameter for all reflections: 2.76
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: Cu-Ka
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No