Information card for entry 1565035

Structure parameters

• Formula: C15 H17 I N2 Pt S
• Calculated formula: C15 H17 I N2 Pt S
• SMILES: c12c3cccc[n]3[Pt](C)(C)(C)(I)[n]1c1c(cccc1)s2
• Title of publication: Facile activation of the C–I bond of primary alkyl halides by Pt(II) complexes having a benzothiazole ligand
• Authors of publication: Nabavizadeh, S. Masoud; Raoof, Fatemeh; Pakpour, Fatemeh; Shafiei Sarvestani, Laleh; Niknam, Fatemeh; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119535
• a: 10.137 ± 0.002 Å
• b: 13.491 ± 0.003 Å
• c: 12.245 ± 0.002 Å
• α: 90°
• β: 98.48 ± 0.03°
• γ: 90°
• Cell volume: 1656.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No