Information card for entry 2214840

Structure parameters

• Chemical name: Poly[1-methyl-1-carboxymethyl-3-methylimidazolium [aqua-di-μ~3~-chlorido-di-μ~2~-chlorido-chloridodicadmate(II)]]
• Formula: C6 H11 Cd2 Cl5 N2 O3
• Calculated formula: C6 H11 Cd2 Cl5 N2 O3
• SMILES: [Cd]1234([OH2])[Cl][Cd]567(Cl)[Cl]4[Cd]48([OH2])([Cl]1[Cd]19(Cl)([Cl]4)[Cl]4[Cd]([Cl]1)([OH2])(Cl)[Cl][Cd]4([Cl]29)([Cl]3)Cl)[Cl]7[Cd]1([Cl]8)(Cl)[Cl]5[Cd]([Cl]6)([OH2])(Cl)[Cl]1.C(=O)(C[n+]1ccn(c1)C)O.C(=O)(C[n+]1ccn(c1)C)O.C(=O)(C[n+]1ccn(c1)C)O.C(=O)(C[n+]1ccn(c1)C)O
• Title of publication: Poly[1-carboxymethyl-3-methylimidazolium [aquadi-μ~3~-chlorido-di-μ~2~-chlorido-chloridodicadmate(II)]]
• Authors of publication: Xia Shi; Jie Zhang; Tao-Kai Ying; Guo-Liang Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2157 - m2157
• a: 7.58 ± 0.002 Å
• b: 10.339 ± 0.003 Å
• c: 10.371 ± 0.003 Å
• α: 74.593 ± 0.015°
• β: 81.568 ± 0.017°
• γ: 83.781 ± 0.016°
• Cell volume: 773 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes