Information card for entry 2016826

Structure parameters

• Chemical name: poly[chlorido[μ~4~-2,2'-(2-methylbenzimidazolium-1,3- diyl)diacetato]cadmium(II)]
• Formula: C12 H11 Cd Cl N2 O4
• Calculated formula: C12 H11 Cd Cl N2 O4
• Title of publication: A coordination polymer of CdCl~2~ with the novel zwitterionic dicarboxylate ligand 2,2'-(2-methylbenzimidazolium-1,3-diyl)diacetate (pda)
• Authors of publication: Gui, Liu-Cheng; Li, Fa-Si; Cen, Zhong-Min; Wang, Xiu-Jian; Li, Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m378 - m380
• a: 7.2418 ± 0.0009 Å
• b: 13.4867 ± 0.0017 Å
• c: 12.9531 ± 0.0016 Å
• α: 90°
• β: 90.229 ± 0.002°
• γ: 90°
• Cell volume: 1265.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes