Information card for entry 7012959

Structure parameters

• Formula: C9 H18 S2 Te
• Calculated formula: C9 H18 S2 Te
• SMILES: [Te]1CCCSCCCSCCC1
• 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: 7.7448 ± 0.0003 Å
• b: 5.5407 ± 0.0003 Å
• c: 13.772 ± 0.0004 Å
• α: 90°
• β: 94.666 ± 0.002°
• γ: 90°
• Cell volume: 589.02 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No