Information card for entry 1549456

Structure parameters

• Formula: C132 H112 Au6 B2 F8 N2 O P6
• Calculated formula: C132 H112 Au6 B2 F8 N2 O P6
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1c1c([N]([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)ccc2ccccc12.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O(CC)CC
• Title of publication: Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters.
• Authors of publication: Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5614 - 5622
• a: 13.7644 ± 0.0001 Å
• b: 24.8987 ± 0.0002 Å
• c: 35.6022 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12201.4 ± 0.15 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No