Information card for entry 7060166

Structure parameters

• Formula: C22 H23 Cl N4 Pt S
• Calculated formula: C22 H23 Cl N4 Pt S
• SMILES: [Pt]1(C(N2C(=[S]1)N(C)C=C2)=Nc1c(C)cccc1C)(Cl)C#[N]c1c(C)cccc1C
• Title of publication: PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones
• Authors of publication: Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1785 - 1789
• a: 19.2546 ± 0.0018 Å
• b: 15.9382 ± 0.0014 Å
• c: 7.3011 ± 0.0006 Å
• α: 90°
• β: 95.247 ± 0.008°
• γ: 90°
• Cell volume: 2231.2 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No