Information card for entry 2241842

Structure parameters

• Chemical name: <i>catena</i>)-Poly[[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>,<i>N</i>')cadmium]di-μ-chlorido]
• Formula: C6 H6 Cd Cl2 N4
• Calculated formula: C6 H6 Cd Cl2 N4
• SMILES: [Cd]1(Cl)(Cl)([n]2c([nH]cc2)c2[n]1cc[nH]2)[Cl][Cd]1(Cl)[n]2c([nH]cc2)c2[n]1cc[nH]2
• Title of publication: Crystal structure and fluorescence properties of <i>catena</i>)-poly[[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>,<i>N</i>')cadmium]di-μ-chlorido]
• Authors of publication: Liu, Yang; Liu, Hai-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1421 - 1424
• a: 14.977 ± 0.005 Å
• b: 8.777 ± 0.003 Å
• c: 7.16 ± 0.003 Å
• α: 90°
• β: 97.9 ± 0.005°
• γ: 90°
• Cell volume: 932.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes