Information card for entry 4318445

Structure parameters

• Formula: C8 H14 O4 S2 Te
• Calculated formula: C8 H14 O4 S2 Te
• SMILES: C(=O)(C)OCCS[Te]SCCOC(=O)C
• Title of publication: Conformation versus Coordination: Synthesis and Structural Investigations of Tellurium(II) Dithiolates Derived from β-Donor-Substituted Thiols
• Authors of publication: Holger Fleischer; Dieter Schollmeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4739 - 4747
• a: 5.2006 ± 0.0006 Å
• b: 8.471 ± 0.001 Å
• c: 29.479 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1298.7 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No