Information card for entry 1558951

Structure parameters

• Common name: trans-[PtCl2(1,4-thioxane)2]
• Formula: C8 H16 Cl2 O2 Pt S2
• Calculated formula: C8 Cl2 O2 Pt S2
• SMILES: Cl[Pt]([S]1CCOCC1)([S]1CCOCC1)Cl
• Title of publication: Cis‒Trans Influences in Pt Complexes. Crystal Structures of cis-[PtCl2(1,4-thioxane)2] and trans-[PtCl2(1,4-thioxane)2]
• Authors of publication: Bugarcic, Zivadin; Lovqvist, Karin; Oskarsson, Ake
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 554 - 559
• a: 7.959 ± 0.005 Å
• b: 8.972 ± 0.001 Å
• c: 18.59 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.5 ± 0.9 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No