Information card for entry 4131702

Structure parameters

• Formula: C108 H144 Au8 N8 S4
• Calculated formula: C108 H144 Au8 N8 S4
• SMILES: C1(N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)=[Au][S]1[Au][S]([Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au][S]([Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au][S]([Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[Au]1
• 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: 18.389 ± 0.005 Å
• b: 18.389 ± 0.005 Å
• c: 16.455 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5564 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No