Information card for entry 7717781

Structure parameters

• Formula: C36 H54 Ag2 N12 O10 S4
• Calculated formula: C36 H54 Ag2 N12 O10 S4
• Title of publication: Identification of novel triazolylquinoxaline-based metal complexes supported by experimental and virtual screenings.
• Authors of publication: Holzhauer, Laura; Shekhovtsev, Vitalii; Bruschi, Cecilia; Gunther, Mathis; Fuhr, Olaf; Hodapp, Patrick; Bizzarri, Claudia; Wenzel, Wolfgang; Jung, Nicole; Bräse, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3287 - 3295
• a: 8.5389 ± 0.0004 Å
• b: 16.5984 ± 0.0008 Å
• c: 17.4856 ± 0.0011 Å
• α: 90°
• β: 101.446 ± 0.005°
• γ: 90°
• Cell volume: 2429 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No