Information card for entry 2012091

Structure parameters

• Formula: C5 H11 Cl2 N O2 Pt S
• Calculated formula: C5 H11 Cl2 N O2 Pt S
• SMILES: [Pt]1(Cl)(Cl)[S](CC[C@@H]([NH2]1)C(=O)O)C
• Title of publication: Dichloro(<small>D</small>-methionine-<i>N</i>,<i>S</i>)platinum(II) at 130K
• Authors of publication: Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 804 - 806
• a: 7.265 ± 0.001 Å
• b: 8.361 ± 0.001 Å
• c: 8.885 ± 0.001 Å
• α: 74.95 ± 0.01°
• β: 86.04 ± 0.01°
• γ: 77.87 ± 0.01°
• Cell volume: 509.49 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes