Information card for entry 2204950

Structure parameters

• Chemical name: Bis(2,2'-bipyridine-κN,N'){[5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2- ylsulfanyl]acetato-κO}copper(II) 5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-ylsulfanylacetate dihydrate
• Formula: C32 H30 Cu N8 O10 S6
• Calculated formula: C32 H30 Cu N8 O10 S6
• Title of publication: Bis(2,2'-bipyridine-κ<i>N</i>,<i>N</i>'){[5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-ylsulfanyl]acetato-κ<i>O</i>}copper(II) [5-(carboxymethylsulfanyl)-1,3,4-thiadiazol-2-ylsulfanyl]acetate dihydrate
• Authors of publication: Gao, Shan; Huo, Li-Hua; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m126 - m128
• a: 10.9 ± 0.002 Å
• b: 12.197 ± 0.002 Å
• c: 14.772 ± 0.003 Å
• α: 91.86 ± 0.01°
• β: 91.53 ± 0.02°
• γ: 92.28 ± 0.01°
• Cell volume: 1960.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes