Information card for entry 2232901

Structure parameters

• Chemical name: Bis(1<i>H</i>-benzotriazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)(2,2'- bipyridyl-κ^2^<i>N</i>,<i>N</i>)cadmium
• Formula: C22 H16 Cd N8 O6 S2
• Calculated formula: C22 H16 Cd N8 O6 S2
• SMILES: c12cccc3c2[n](n[nH]3)[Cd]23(OS1(=O)=O)([n]1c4c(cccc4[nH]n1)S(=O)(=O)O3)[n]1ccccc1c1[n]2cccc1
• Title of publication: Bis(1<i>H</i>-benzotriazole-4-sulfonato-κ^2^<i>N</i>^3^,<i>O</i>)(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium
• Authors of publication: Zhu, Xiao-Hong; Cheng, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1699
• a: 8.148 ± 0.004 Å
• b: 17.207 ± 0.007 Å
• c: 17.72 ± 0.008 Å
• α: 90°
• β: 103.29 ± 0.01°
• γ: 90°
• Cell volume: 2417.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes