Information card for entry 7041623

Structure parameters

• Formula: C72 H60 Ag2 P2 S6 Sn
• Calculated formula: C72 H60 Ag2 P2 S6 Sn
• SMILES: c1(ccccc1)[P]([Ag]12[S]([Sn]34([S]1c1ccccc1)([S]2c1ccccc1)[S](c1ccccc1)[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]3c1ccccc1)[S]4c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Optical properties of trinuclear metal chalcogenolate complexes - room temperature NIR fluorescence in [Cu2Ti(SPh)6(PPh3)2].
• Authors of publication: Kühn, Michael; Lebedkin, Sergei; Weigend, Florian; Eichhöfer, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1502 - 1509
• a: 13.2373 ± 0.0019 Å
• b: 13.2373 ± 0.0019 Å
• c: 34.644 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5257.2 ± 1.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No