Information card for entry 7012958

Structure parameters

• Chemical name: 1-thia-4-tellurocyclohexane
• Formula: C4 H8 S Te
• Calculated formula: C4 H8 S Te
• Title of publication: Synthesis, characterisation and coordinating properties of the small ring S2Te-donor macrocycles [9]aneS2Te, [11]aneS2Te and [12]aneS2Te
• Authors of publication: Hesford, Matthew J.; Levason, William; Matthews, Melissa L.; Orchard, Simon D.; Reid, Gillian
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2434
• a: 7.02 ± 0.002 Å
• b: 5.6344 ± 0.0015 Å
• c: 8.009 ± 0.003 Å
• α: 90°
• β: 93.635 ± 0.01°
• γ: 90°
• Cell volume: 316.15 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No