Information card for entry 2012259

Structure parameters

• Common name: Cu(PT)~2~
• Chemical name: Bis(1-hydroxy-2(1H)-pyridinethiolato-S^2^,O)copper(II)
• Formula: C10 H8 Cu N2 O2 S2
• Calculated formula: C10 H8 Cu N2 O2 S2
• SMILES: [Cu]12([O]=n3c(cccc3)S1)[O]=n1c(cccc1)S2
• Title of publication: Bis[1-hydroxypyridine-2(1<i>H</i>)-thionato-<i>S</i>,<i>O</i>]copper(II)
• Authors of publication: Bond, Andrew D.; Feeder, Neil; Teat, Simon J.; Jones, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1157 - 1158
• a: 4.0545 ± 0.0007 Å
• b: 7.5723 ± 0.0012 Å
• c: 9.0629 ± 0.0014 Å
• α: 81.096 ± 0.004°
• β: 86.19 ± 0.004°
• γ: 85.197 ± 0.004°
• Cell volume: 273.53 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.6884 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes