Information card for entry 2213886

Structure parameters

• Chemical name: catena-Poly[[iodidocadmium(II)]-di-μ-iodido-[iodidocadmium(II)]-bis(μ- 4-methylpyridine N-oxide)]
• Formula: C6 H7 Cd I2 N O
• Calculated formula: C6 H7 Cd I2 N O
• SMILES: [Cd]12([I][Cd]3([I]2)(I)[O](=n2ccc(C)cc2)[Cd](I)(I)[O]3=n2ccc(C)cc2)(I)[O](=n2ccc(C)cc2)[Cd](I)(I)[O]1=n1ccc(C)cc1
• Title of publication: <i>catena</i>-Poly[[iodidocadmium(II)]-di-μ-iodido-[iodidocadmium(II)]-bis(μ-4-methylpyridine <i>N</i>-oxide)]
• Authors of publication: Zhang, Shi-Guo; Shi, Jing-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1730 - m1730
• a: 7.0584 ± 0.0016 Å
• b: 8.4025 ± 0.0019 Å
• c: 9.875 ± 0.002 Å
• α: 102.633 ± 0.003°
• β: 96.05 ± 0.003°
• γ: 103.51 ± 0.003°
• Cell volume: 548.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes