Information card for entry 2231345

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diiodidocadmium]-μ-[4,4'-(2,3,5,6-tetramethyl- 1,4-phenylene)bis(methylene)]bis(3,5-dimethyl-1<i>H</i>-pyrazole)- κ^2^<i>N</i>^2^:<i>N</i>^2'^]
• Formula: C22 H30 Cd I2 N4
• Calculated formula: C22 H30 Cd I2 N4
• SMILES: I[Cd]([n]1[nH]c(c(c1C)Cc1c(c(C)c(Cc2c([n]([Cd](I)I)[nH]c2C)C)c(c1C)C)C)C)(I)[n]1[nH]c(c(c1C)Cc1c(c(C)c(Cc2c(n[nH]c2C)C)c(c1C)C)C)C
• Title of publication: <i>catena</i>-Poly[[diiodidocadmium]-μ-[4,4'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis(3,5-dimethyl-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
• Authors of publication: Zhou, Yuanyuan; Wang, Zhaoyang; Yang, Guang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1037
• a: 22.118 ± 0.008 Å
• b: 6.84 ± 0.002 Å
• c: 17.057 ± 0.006 Å
• α: 90°
• β: 93.407 ± 0.005°
• γ: 90°
• Cell volume: 2575.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes