Information card for entry 7050667

Structure parameters

• Common name: 1,5,9,13-tetrathiacyclohexadecane-tetrabromotin(IV)
• Chemical name: 1,5,9,13-tetrathiacyclohexadecane-tetrabromotin(IV)
• Formula: C12 H24 Br4 S4 Sn
• Calculated formula: C12 H24 Br4 S4 Sn
• Title of publication: Unusual structural variations within a family of thioether macrocyclic complexes. Tin(iv) halide adducts of [12]-, [14]- and [16]-aneS4
• Authors of publication: Levason, William; Matthews, Melissa L.; Patel, Rina; Reid, Gillian; Webster, Michael
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1784
• a: 19.4987 ± 0.0007 Å
• b: 10.0624 ± 0.0003 Å
• c: 10.9104 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2140.66 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No