Information card for entry 2019138

Structure parameters

• Chemical name: <i>catena</i>-Poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]
• Formula: C13 H22 Cd Cl3 N
• Calculated formula: C13 H22 Cd Cl3 N
• SMILES: [Cd]1(Cl)(Cl)([Cl][Cd]([Cl]1)Cl)Cl.C(c1ccccc1)[N+](CC)(CC)CC.C(c1ccccc1)[N+](CC)(CC)CC
• Title of publication: A novel pentacoordinated cadmium compound: <i>catena</i>-poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]
• Authors of publication: Sun, Su-Wen; Jin, Lei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1030 - 1033
• a: 7.2555 ± 0.0015 Å
• b: 13.931 ± 0.003 Å
• c: 16.326 ± 0.003 Å
• α: 90°
• β: 96.07 ± 0.03°
• γ: 90°
• Cell volume: 1640.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes