Information card for entry 2217951

Structure parameters

• Chemical name: Poly[tris{μ~2~-4-[4- (dimethylamino)phenyldiazenyl]benzenesulfonato}tridioxanetrisodium(I)]
• Formula: C18 H22 N3 Na O5 S
• Calculated formula: C18 H22 N3 Na O5 S
• SMILES: S(=O)(=O)([O-])c1ccc(N=Nc2ccc(N(C)C)cc2)cc1.[Na+].O1CCOCC1
• Title of publication: Poly[tris{μ~2~-4-[4-(dimethylamino)phenyldiazenyl]benzenesulfonato}tridioxanetrisodium(I)]
• Authors of publication: Sato, Kazuyuki; Shibata, Hiroki; Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m586 - m587
• a: 8.4471 ± 0.0006 Å
• b: 15.5153 ± 0.001 Å
• c: 44.488 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5830.6 ± 0.7 ų
• Cell temperature: 93 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes