Information card for entry 2012175

Structure parameters

• Chemical name: Bis[μ-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-κN:κO]bis{[1,2-benzisothiazol-3(2H)-one 1,1-dixoido-κN]bis(imidazole)copper(II)}
• Formula: C40 H32 Cu2 N12 O12 S4
• Calculated formula: C40 H32 Cu2 N12 O12 S4
• Title of publication: On the short carbonyl bond in bis[μ-1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxido-κ^2^<i>N</i>:<i>O</i>]bis{[1,2-benzisothiazol-3(2<i>H</i>)-one 1,1-dioxido-κ<i>N</i>]bis(imidazole)copper(II)}
• Authors of publication: Naumov, Panče; Jovanovski, Gligor; Hu, Sheng-Zhi; Suh, Il-Hwan; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1016 - 1019
• a: 11.1176 ± 0.0001 Å
• b: 11.5112 ± 0.0001 Å
• c: 17.1203 ± 0.0001 Å
• α: 90°
• β: 95.346 ± 0.001°
• γ: 90°
• Cell volume: 2181.47 ± 0.03 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
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes