Information card for entry 7715100

Structure parameters

• Formula: C31 H13 Au Cl10 N3 S Tl
• Calculated formula: C31 H13 Au Cl10 N3 S Tl
• Title of publication: Terpyridine isomerism as a tool for tuning red-to-NIR emissive properties in heteronuclear gold(I)-thallium(I) complexes.
• Authors of publication: Royo, David; Moreno, Sonia; Rodríguez-Castillo, María; Monge, Miguel; Olmos, M. Elena; Zubkov, Fedor I.; Pronina, Anastasia A.; Mahmoudi, Ghodrat; López-de-Luzuriaga, José M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4652 - 4661
• a: 10.5516 ± 0.0008 Å
• b: 10.9165 ± 0.0009 Å
• c: 15.3597 ± 0.0013 Å
• α: 89.27 ± 0.003°
• β: 86.508 ± 0.003°
• γ: 88.089 ± 0.003°
• Cell volume: 1764.9 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No