Information card for entry 4131309

Structure parameters

• Formula: C42 H24 N2 Pt
• Calculated formula: C42 H24 N2 Pt
• SMILES: [Pt]12(c3c(cccc3)C#Cc3ccccc3C#Cc3[n]1cccc3)c1c(cccc1)C#Cc1ccccc1C#Cc1[n]2cccc1
• Title of publication: Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand.
• Authors of publication: Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 6863 - 6866
• a: 17.5938 ± 0.0012 Å
• b: 9.2189 ± 0.0006 Å
• c: 18.8427 ± 0.0014 Å
• α: 90°
• β: 96.984 ± 0.003°
• γ: 90°
• Cell volume: 3033.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No