Information card for entry 1572565

Structure parameters

• Formula: C30.5 H21 Cl3 N2 Pt
• Calculated formula: C30.5 H21 Cl3 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
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 14644 - 14650
• a: 11.7578 ± 0.0007 Å
• b: 11.7959 ± 0.0008 Å
• c: 21.4886 ± 0.0013 Å
• α: 104.299 ± 0.002°
• β: 95.141 ± 0.002°
• γ: 106.641 ± 0.002°
• Cell volume: 2725.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No