Information card for entry 2207548

Structure parameters

• Chemical name: catena-Poly[[diiodocadmium(II)]-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κN^4^:N^4'^]
• Formula: C12 H12 Cd I2 N6
• Calculated formula: C12 H12 Cd I2 N6
• SMILES: I[Cd](I)([n]1cnn(c1)Cc1ccc(cc1)Cn2ncnc2)[n]1cnn(c1)Cc1ccc(cc1)Cn2nc[n](c2)[Cd](I)I
• Title of publication: <i>catena</i>-Poly[[diiodocadmium(II)]-μ-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]
• Authors of publication: Niu, Yun-Yin; Zhang, He-Li; Hou, Hong-Wei; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2536 - m2537
• a: 9.3325 ± 0.0005 Å
• b: 17.6438 ± 0.0009 Å
• c: 10.3499 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1704.22 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes