Information card for entry 4121021

Structure parameters

• Formula: C60 H60 Ag Au3 B2 F8 N3 O7 P3
• Calculated formula: C60 H60 Ag Au3 B2 F8 N3 O7 P3
• SMILES: [B](F)(F)(F)[F-].[n]12[Ag]3456[n]7c([P]([Au]5[O]([Au]4[P](c4ccccc4)(c4ccccc4)c1ccc(c2)C(OC)OC)[Au]6[P](c1ccccc1)(c1ccccc1)c1[n]3cc(cc1)C(OC)OC)(c1ccccc1)c1ccccc1)ccc(c7)C(OC)OC.[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: 13.9185 ± 0.001 Å
• b: 14.5434 ± 0.0018 Å
• c: 18.3354 ± 0.0018 Å
• α: 106.857 ± 0.01°
• β: 94.398 ± 0.007°
• γ: 115.063 ± 0.01°
• Cell volume: 3131.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No