Information card for entry 1518533

Structure parameters

• Formula: C90 H72 Ag12 F18 N6 O12 S6
• Calculated formula: C90 H72 Ag12 F18 N6 O12 S6
• SMILES: [Ag]123[O]=C(C(F)(F)F)O[Ag]45[O]=C(C(F)(F)F)O[Ag]67[O]=C(C(F)(F)F)O[Ag]89[O]=C(C(F)(F)F)O[Ag]%10%11[O]=C(C(F)(F)F)O[Ag]([O]=C(O1)C(F)(F)F)([S]12([Ag]([S]46([Ag]([S]8%10([Ag]1[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1)[S]1%11([Ag]([S]35([Ag]([S]79([Ag]1[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1)[N]#CC)Cc1ccc2ccccc2c1
• Title of publication: A thermochromic silver nanocluster exhibiting dual emission character.
• Authors of publication: Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W.
• Journal of publication: Nanoscale
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 1650 - 1654
• a: 23.9571 ± 0.0006 Å
• b: 23.9571 ± 0.0006 Å
• c: 16.5415 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8221.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No