Information card for entry 7119352

Structure parameters

• Chemical name: 2d
• Formula: C47 H43 Ag3 F6 N12 O7 S2
• Calculated formula: C47 H43 Ag3 F6 N12 O7 S2
• SMILES: [Ag]1[n]2c3N(c4nc(N(c5[n]6[Ag][C]1([Ag][n]1c(cccc1N(C)c1nc(ccc1)N(C)c6ccc5)N(c1nc(N(c2ccc3)C)ccc1)C)#Cc1ccc(OC)cc1)C)ccc4)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A stepwise bulk-to-cluster-to-particle transformation toward the efficient synthesis of alkynyl-protected silver nanoclusters
• Authors of publication: Hui; Guo; Xin; He; Chong-Qing; Wan; Liang; Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7723
• a: 12.88 ± 0.03 Å
• b: 13.13 ± 0.04 Å
• c: 15.88 ± 0.04 Å
• α: 99.38 ± 0.02°
• β: 90.29 ± 0.03°
• γ: 101.76 ± 0.06°
• Cell volume: 2592 ± 12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No