Information card for entry 7204224

Structure parameters

• Common name: Zn(PT)1.2(MTT)0.8(H2O)
• Chemical name: (1-hydroxy-2(1H)-pyridinethiolato-S2,O) (3-hydroxy-4-methyl-2(3H)-thiazolethiolate-S2,O)zinc(II) hydrate
• Formula: C9.2 H10 N2 O3 S2.8 Zn
• Calculated formula: C9.2 H10 N2 O3 S2.8 Zn
• Title of publication: Modification of the solid-state structure of bis(1-hydroxy-2(1H)-pyridinethiolato-S2,O)zinc(II): synthesis and characterisation of a molecular solid solution incorporating 3-hydroxy-4-methyl-2(3H)-thiazolethione
• Authors of publication: Bond, Andrew D.; Benevelli, Francesca; Jones, William
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 324 - 332
• a: 7.1353 ± 0.0005 Å
• b: 11.6238 ± 0.0005 Å
• c: 15.9011 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1318.83 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No