Information card for entry 2015454

Structure parameters

• Chemical name: potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)
• Formula: C6 H15 Cl3 K O4 P Pt S
• Calculated formula: C6 H15 Cl3 K O4 P Pt S
• SMILES: [K+].[Pt](Cl)(Cl)(Cl)[S](=O)(C)CP(=O)(OCC)OCC
• Title of publication: Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~
• Authors of publication: Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m306 - m310
• a: 14.2518 ± 0.0003 Å
• b: 16.6754 ± 0.0003 Å
• c: 20.8743 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4960.87 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1899
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes