Information card for entry 2209885

Structure parameters

• Chemical name: catena-Poly[[dichlorocadmium(II)]bis[μ-1,3-bis(imidazol-1- ylmethyl)benzene]-κ^2^N^3^:κ^2^N^3'^]
• Formula: C28 H28 Cd Cl2 N8
• Calculated formula: C28 H28 Cd Cl2 N8
• SMILES: [Cd]1(Cl)(Cl)[n]2ccn(c2)Cc2cccc(c2)Cn2c[n](cc2)[Cd](Cl)(Cl)([n]2cn(cc2)Cc2cccc(c2)Cn2cncc2)([n]2cn(cc2)Cc2cccc(c2)Cn2c[n]1cc2)[n]1cn(Cc2cccc(Cn3cncc3)c2)cc1
• Title of publication: <i>catena</i>-Poly[[dichlorocadmium(II)]bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:κ^2^<i>N</i>^3'^]]
• Authors of publication: Tao Li; Shao-Wu Du
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1933 - m1935
• a: 7.8698 ± 0.0011 Å
• b: 8.8455 ± 0.0014 Å
• c: 11.0814 ± 0.0012 Å
• α: 106.727 ± 0.004°
• β: 91.021 ± 0.004°
• γ: 107.385 ± 0.005°
• Cell volume: 700.45 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes