Information card for entry 4121020

Structure parameters

• Formula: C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6
• Calculated formula: C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[n]12[Ag]3456[n]7c([P]([Au]4[C]48([Au]9[P](c%10ccccc%10)(c%10ccccc%10)c%10[n]([Ag]%11%129([n]9c([P]([Au]4%11)(c4ccccc4)c4ccccc4)ccc(c9)C(OC)OC)[n]4c([P]([Au]8%12)(c8ccccc8)c8ccccc8)ccc(c4)C(OC)OC)cc(cc%10)C(OC)OC)([Au]3[P](c3ccccc3)(c1ccc(c2)C(OC)OC)c1ccccc1)[Au]6[P](c1ccccc1)(c1ccccc1)c1[n]5cc(cc1)C(OC)OC)(c1ccccc1)c1ccccc1)ccc(c7)C(OC)OC.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 15.3322 ± 0.0011 Å
• b: 15.4373 ± 0.0009 Å
• c: 16.4557 ± 0.0011 Å
• α: 82.767 ± 0.005°
• β: 64.786 ± 0.007°
• γ: 73.405 ± 0.006°
• Cell volume: 3377 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No