Information card for entry 2213175

Structure parameters

• Chemical name: poly[(μ~4~2,5-dichloro-3,6-dihydroxy-1,4-benzoquinonato)bis[1,2- benzisothiazol-3(2H)-one 1,1-dioxide]disodium(I)]
• Formula: C20 H10 Cl2 N2 Na2 O10 S2
• Calculated formula: C20 H10 Cl2 N2 Na2 O10 S2
• SMILES: C1(=C([O-])C(=O)C(=C([O-])C1=O)Cl)Cl.C1(c2ccccc2S(=O)(=O)N1)=O.[Na+].C1(c2ccccc2S(=O)(=O)N1)=O.[Na+]
• Title of publication: Poly[(μ~4~-chloranilato)bis(saccharin)disodium(I)]
• Authors of publication: Refat, Moamen S.; Hashem, Hassan A.; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1383 - m1384
• a: 14.6795 ± 0.0007 Å
• b: 6.2247 ± 0.0003 Å
• c: 25.2114 ± 0.0012 Å
• α: 90°
• β: 99.9052 ± 0.0016°
• γ: 90°
• Cell volume: 2269.36 ± 0.19 ų
• Cell temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes