Information card for entry 4084676

Structure parameters

• Formula: C13 H16 N2 O Pt S
• Calculated formula: C13 H16 N2 O Pt S
• SMILES: [Pt]1(c2c(c3[n]1cccc3)n(ccc2)=O)([S](C)C)C
• Title of publication: Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex
• Authors of publication: Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5402
• a: 18.246 ± 0.008 Å
• b: 12.2 ± 0.006 Å
• c: 12.027 ± 0.005 Å
• α: 90°
• β: 90.024 ± 0.013°
• γ: 90°
• Cell volume: 2677 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0562
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No