Information card for entry 2012358

Structure parameters

• Chemical name: bis(triethanolamine)-κ^3^O,N,O';κ^4^O,N,O',O''-cadmium(II) 1,2-bensisothiazol-3(2H)-onate 1,1-dioxide
• Formula: C26 H38 Cd N4 O12 S2
• Calculated formula: C26 H38 Cd N4 O12 S2
• Title of publication: Bis(triethanolamine)cadmium(II) and -mercury(II) saccharinates: seven-coordinate complexes containing both tri- and tetradentate triethanolamine ligands
• Authors of publication: Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Guven, Kutalmis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1381 - 1384
• a: 13.2825 ± 0.0009 Å
• b: 14.9093 ± 0.0011 Å
• c: 8.9376 ± 0.001 Å
• α: 98.002 ± 0.008°
• β: 102.662 ± 0.008°
• γ: 63.762 ± 0.005°
• Cell volume: 1547.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes