Information card for entry 4121023

Structure parameters

• Formula: C157 H138 Ag2 Au6 B4 F16 N12 P6
• Calculated formula: C157 H138 Ag2 Au6 B4 F16 N12 P6
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[C]12345[Au]67[P](c8ccccc8)(c8ccccc8)c8[n]([Ag]9%10%116[n]6c([P]([Au]2%10[Au]24[P](c4ccccc4)(c4ccccc4)c4[n]([Ag]%10%122([Au]17[P](c1ccccc1)(c1ccccc1)c1[n]%10cc(cc1)/C=N/[C@H](C)c1ccccc1)[n]1c([P]([Au]5%12[Au]3%11[P](c2ccccc2)(c2ccccc2)c2[n]9cc(cc2)/C=N/[C@H](C)c2ccccc2)(c2ccccc2)c2ccccc2)ccc(c1)/C=N/[C@H](C)c1ccccc1)cc(cc4)/C=N/[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1)ccc(c6)/C=N/[C@H](C)c1ccccc1)cc(cc8)/C=N/[C@@H](c1ccccc1)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing
• Authors of publication: Yang Yang; Xiao-Li Pei; Quan-Ming Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16184 - 16191
• a: 21.5216 ± 0.0014 Å
• b: 21.5216 ± 0.0014 Å
• c: 68.567 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27504 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No