Information card for entry 2242941

Structure parameters

• Chemical name: Di-μ-chlorido-bis[dichlorido(<i>L</i>-histidinium-κ<i>O</i>)cadmium(II)]
• Formula: C12 H20 Cd2 Cl6 N6 O4
• Calculated formula: C12 H20 Cd2 Cl6 N6 O4
• SMILES: [Cd]1([Cl][Cd](Cl)([Cl]1)(Cl)OC(=O)[C@@H]([NH3+])Cc1[nH+]c[nH]c1)(Cl)(Cl)OC(=O)[C@@H]([NH3+])Cc1[nH]c[nH+]c1
• Title of publication: Crystal structure of di-μ-chlorido-bis[dichlorido(<small>L</small>-histidinium-κ<i>O</i>)cadmium(II)]
• Authors of publication: Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 823 - 825
• a: 7.154 ± 0.0006 Å
• b: 8.2591 ± 0.0006 Å
• c: 10.4459 ± 0.0008 Å
• α: 108.502 ± 0.002°
• β: 97.499 ± 0.002°
• γ: 94.512 ± 0.002°
• Cell volume: 575.54 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes