Information card for entry 4331887

Structure parameters

• Formula: C17 H23 N3 Pt S
• Calculated formula: C17 H23 N3 Pt S
• SMILES: [Pt]12(Sc3ncccc3)[N](Cc3c2c(ccc3)C[N]1(C)C)(C)C
• Title of publication: Hydroxy- and Mercaptopyridine Pincer Platinum and Palladium Complexes Generated by Silver-Free Halide Abstraction
• Authors of publication: Chuchuryukin, Alexey V.; Chase, Preston A.; Mills, Allison M.; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2045 - 2054
• a: 9.5326 ± 0.0003 Å
• b: 10.0782 ± 0.0007 Å
• c: 17.4735 ± 0.001 Å
• α: 90°
• β: 96.076 ± 0.004°
• γ: 90°
• Cell volume: 1669.27 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No