Information card for entry 4131700

Structure parameters

• Formula: C108 H144 Ag4 Au4 N8 S4
• Calculated formula: C108 H144 Ag4 Au4 N8 S4
• SMILES: CC(c1c(N2C=CN(C2=[Au][S]2[Ag][S]([Ag][S]([Ag][S]([Ag]2)[Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c(ccc1)C(C)C)C
• Title of publication: A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.
• Authors of publication: Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 40
• Pages of publication: 14045 - 14048
• a: 18.4029 ± 0.0019 Å
• b: 18.4029 ± 0.0019 Å
• c: 16.434 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5565.6 ± 1.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.717
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No