Information card for entry 4331881

Structure parameters

• Formula: C18 H25 Cl2 N3 O Pt
• Calculated formula: C18 H25 Cl2 N3 O Pt
• SMILES: [Pt]12([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)n1c(=O)cccc1.ClCCl
• 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: 11.5203 ± 0.0002 Å
• b: 13.033 ± 0.0003 Å
• c: 16.9135 ± 0.0004 Å
• α: 90°
• β: 128.434 ± 0.0013°
• γ: 90°
• Cell volume: 1989.22 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No