Information card for entry 7709636

Structure parameters

• Formula: C12 H11 N O4 S
• Calculated formula: C12 H11 N O4 S
• SMILES: S(C(=O)ON1C(=O)CCC1=O)Cc1ccccc1
• Title of publication: Synthesis and characterization of thiocarbonato-linked platinum(IV) complexes
• Authors of publication: Barth, Marie-Christin; Lange, Stefanie; Haefner, Norman; Ueberschaar, Nico; Görls, Helmar; Runnebaum, Ingo B.; Weigand, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 5.827 ± 0.0002 Å
• b: 10.1224 ± 0.0003 Å
• c: 11.5866 ± 0.0003 Å
• α: 109.654 ± 0.001°
• β: 99.346 ± 0.002°
• γ: 97.107 ± 0.002°
• Cell volume: 623.25 ± 0.03 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No