Information card for entry 4301581

Structure parameters

• Chemical name: Di-n-butylbut-2-ene-2,3-dithiolatotin(IV)
• Formula: C12 H24 S2 Sn
• Calculated formula: C12 H24 S2 Sn
• SMILES: [Sn]1(SC(=C(S1)C)C)(CCCC)CCCC
• Title of publication: Synthesis, Structures, and Properties of Mixed Dithiolene-Carbonyl and Dithiolene-Phosphine Complexes of Tungsten
• Authors of publication: P. Chandrasekaran; Kuppuswamy Arumugam; Upul Jayarathne; Lisa M. Pérez; Joel T. Mague; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2103 - 2113
• a: 10.0985 ± 0.0013 Å
• b: 10.4749 ± 0.0013 Å
• c: 15.2242 ± 0.0019 Å
• α: 82.493 ± 0.002°
• β: 86.66 ± 0.002°
• γ: 77.971 ± 0.002°
• Cell volume: 1560.8 ± 0.3 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No