Information card for entry 2016990

Structure parameters

• Chemical name: poly[μ~2~-aqua-μ~2~-chlorido-{m~2~-4-[(1H-1,2,4-triazol-1- yl)methyl]benzoato}cadmium(II)]
• Formula: C10 H10 Cd Cl N3 O3
• Calculated formula: C10 H10 Cd Cl N3 O3
• Title of publication: A novel two-dimensional framework based on unprecedented cadmium(II) chains
• Authors of publication: Qin, Jie; Ma, Jian-Ping; Liu, Li-Li; Huang, Ru-Qi; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m66 - m68
• a: 5.977 ± 0.003 Å
• b: 8.052 ± 0.004 Å
• c: 13.091 ± 0.006 Å
• α: 101.516 ± 0.006°
• β: 96.291 ± 0.006°
• γ: 96.612 ± 0.006°
• Cell volume: 607.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes