Information card for entry 4131307

Structure parameters

• Formula: C42 H24 N2 Pt
• Calculated formula: C42 H24 N2 Pt
• SMILES: [Pt]12([n]3c(C#Cc4c(C#Cc5c1cccc5)cccc4)cccc3)[n]1c(C#Cc3c(C#Cc4c2cccc4)cccc3)cccc1
• 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: 17.492 ± 0.003 Å
• b: 9.249 ± 0.002 Å
• c: 18.881 ± 0.002 Å
• α: 90°
• β: 97.13 ± 0.02°
• γ: 90°
• Cell volume: 3031 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0204
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No