Information card for entry 1574082

Structure parameters

• Formula: C30 H26 Cl2 N2 O2 Pt S
• Calculated formula: C30 H26 Cl2 N2 O2 Pt S
• SMILES: [Pt]1([n]2ccc(cc2S(=O)(=O)c2[n]1ccc(c2)C)C)(C#Cc1ccccc1)C#Cc1ccccc1.ClCCCl
• 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: 10.5828 ± 0.0008 Å
• b: 26.522 ± 0.002 Å
• c: 9.987 ± 0.0008 Å
• α: 90°
• β: 99.343 ± 0.002°
• γ: 90°
• Cell volume: 2765.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No