Information card for entry 4319813

Structure parameters

• Formula: C16 H20 Cl2 N6 O8 Pt S2
• Calculated formula: C16 H20 Cl2 N6 O8 Pt S2
• SMILES: [Pt]1([n]2c(ccc3ccc4ccc([n]1c4c23)C)C)([S]=C(N)N)[S]=C(N)N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Bowl-Shaped and Highly Inert Bis(μ-hydroxo)platinum(II) Dimer
• Authors of publication: Ulrich Fekl; Rudi van Eldik; Chris Richardson; Ward T. Robinson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3247 - 3251
• a: 9.252 ± 0.003 Å
• b: 10.071 ± 0.004 Å
• c: 25.987 ± 0.01 Å
• α: 90°
• β: 90.012 ± 0.005°
• γ: 90°
• Cell volume: 2421.4 ± 1.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No