Information card for entry 7050666

Structure parameters

• Common name: 1,4,8,11-tetrathiacyclotetradecane-tetrabromotin(IV) dichloromethane solvate
• Chemical name: 1,4,8,11-tetrathiacyclotetradecane-tetrabromotin(IV) dichloromethane solvate
• Formula: C10.67 H21.33 Br4 Cl1.33 S4 Sn
• Calculated formula: C10.6667 H21.3333 Br4 Cl1.33333 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: 11.2865 ± 0.0003 Å
• b: 11.5634 ± 0.0003 Å
• c: 13.3067 ± 0.0004 Å
• α: 104.865 ± 0.001°
• β: 103.475 ± 0.001°
• γ: 92.859 ± 0.001°
• Cell volume: 1621.19 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No