Information card for entry 1572569

Structure parameters

• Formula: C38 H24 N2 Pt
• Calculated formula: C38 H24 N2 Pt
• Title of publication: π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes
• Authors of publication: Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 17.067 ± 0.003 Å
• b: 7.9171 ± 0.0012 Å
• c: 19.976 ± 0.003 Å
• α: 90°
• β: 101.319 ± 0.004°
• γ: 90°
• Cell volume: 2646.7 ± 0.7 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: 0.0788
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No