Information card for entry 1569433

Structure parameters

• Formula: C124 H98 Ag6 N16 P8 S4
• Calculated formula: C124 H98 Ag6 N16 P8 S4
• SMILES: [Ag]12345[Ag]6789[Ag]%10%11([P](c%12nc([P]4(c4ccccc4)c4ccccc4)ccc%12)(c4ccccc4)c4ccccc4)[S]7([Ag]4([P](c7nc([P]([Ag]%12%13([Ag]16([S]3%12c1n9nnc1)([S]4%13c1[nH]nnc1)n1nncc1[S]58%11)[P](c1ccccc1)(c1nc([P]2(c2ccccc2)c2ccccc2)ccc1)c1ccccc1)(c1ccccc1)c1ccccc1)ccc7)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1nc([P]%10(c2ccccc2)c2ccccc2)ccc1)c1ccccc1)c1[nH]nnc1
• Title of publication: Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.
• Authors of publication: Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan
• Journal of publication: Nanoscale
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 12679 - 12685
• a: 24.0518 ± 0.0001 Å
• b: 24.0861 ± 0.0001 Å
• c: 24.122 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13974.2 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No