Information card for entry 2232909

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- 4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^]
• Formula: C18 H11 N5 O3 S Zn
• Calculated formula: C18 H11 N5 O3 S Zn
• SMILES: [Zn]12([n]3c4c(ccc3)ccc3ccc[n]1c43)(n1nnc3c1c(S(=O)(=O)O2)ccc3)[n]1nn2[Zn]3([n]4c5c(ccc4)ccc4ccc[n]3c54)OS(=O)(=O)c3cccc1c23
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-4-sulfonatobenzotriazolido-κ^3^<i>N</i>^3^,<i>O</i>:<i>N</i>^1^]
• Authors of publication: Cheng, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1758
• a: 14.5562 ± 0.0019 Å
• b: 25.903 ± 0.003 Å
• c: 8.9239 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3364.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes