Information card for entry 4347555

Structure parameters

• Common name: Compound X
• Formula: C24 H20 I4 O2 S2 Sn
• Calculated formula: C24 H20 I4 O2 S2 Sn
• SMILES: [Sn](I)(I)(I)(I)([O]=S(c1ccccc1)c1ccccc1)[O]=S(c1ccccc1)c1ccccc1
• Title of publication: Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.
• Authors of publication: Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5935 - 5945
• a: 21.11 ± 0.0001 Å
• b: 9.056 ± 0.0002 Å
• c: 15.313 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2927.42 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for significantly intense reflections: 97.481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No