Information card for entry 1574081

Structure parameters

• Chemical name: C26H18N2OPtS
• Formula: C26 H18 N2 O Pt S
• Calculated formula: C26 H18 N2 O Pt S
• SMILES: [Pt]1([n]2c(S(=O)c3[n]1cccc3)cccc2)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Deep-blue phosphorescence from platinum(ii) bis(acetylide) complexes with sulfur-bridged dipyridyl ligands.
• Authors of publication: Tong, Ka-Ming; Toigo, Jessica; Wolf, Michael O.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 5948 - 5956
• a: 7.9676 ± 0.0005 Å
• b: 11.994 ± 0.0007 Å
• c: 12.5963 ± 0.0007 Å
• α: 117.424 ± 0.001°
• β: 97.964 ± 0.002°
• γ: 90.392 ± 0.002°
• Cell volume: 1054.74 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No