Information card for entry 4347553

Structure parameters

• Formula: C36 H30 I4 O2 P2 Sn
• Calculated formula: C36 H30 I4 O2 P2 Sn
• SMILES: [Sn](I)(I)(I)(I)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(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: 10.293 ± 0.005 Å
• b: 16.785 ± 0.005 Å
• c: 11.494 ± 0.005 Å
• α: 90°
• β: 109.527 ± 0.005°
• γ: 90°
• Cell volume: 1871.6 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No