Information card for entry 7130309

Structure parameters

• Chemical name: [Ag2(1,3-benzenedithiolate)]n
• Mineral name: [Ag2(BDT)]n
• Formula: C6 H4 Ag2 S2
• Calculated formula: C6 H4 Ag2 S2
• Title of publication: A chiral 3D silver(i)–benzenedithiolate coordination polymer exhibiting photoemission and non-linear optical response
• Authors of publication: Hawila, Saly; Abdallah, Ahmad; Rukemampunzi, Jean-Luc; Fateeva, Alexandra; Ledoux, Gilles; Debord, Régis; Paihlès, Stéphane; Guillou, Nathalie; Massuyeau, Florian; Gautier, Romain; Mesbah, Adel; Demessence, Aude
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.88562 ± 0.00002 Å
• b: 12.88562 ± 0.00002 Å
• c: 12.88562 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2139.52 ± 0.006 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor R(I) for significantly intense reflections: 0.0371
• Goodness-of-fit parameter for all reflections: 3.81
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.67122 Å
• Diffraction radiation type: X-raysynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No