Information card for entry 4119698

Structure parameters

• Formula: C150 H128 Ag4 Au8 B6 Cl4 F24 N14 P8
• Calculated formula: C150 H128 Ag4 Au8 B6 Cl4 F24 N14 P8
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[C]1234[Au]567[Au]891[Au]12([P](c2ccccc2)(c2ccccc2)c2[n]([Ag]91([N]#C[C]19%10[Au]%11%12%13[P](c%14[n]([Ag]%15%11([Au]%10%13([P](c%10[n]%15cccc%10)(c%10ccccc%10)c%10ccccc%10)[Au]%10%119[P](c9[n]([Ag]%13%10([N]#C4)[Au]1%12%11[P](c1[n]%13cccc1)(c1ccccc1)c1ccccc1)cccc9)(c1ccccc1)c1ccccc1)[N]#CC)cccc%14)(c1ccccc1)c1ccccc1)[n]1c([P]8(c4ccccc4)c4ccccc4)cccc1)cccc2)[Au]135[P](c2[n](cccc2)[Ag]71([n]1c([P]6(c2ccccc2)c2ccccc2)cccc1)[N]#CC)(c1ccccc1)c1ccccc1.C(#N)C.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(#N)C.C(Cl)Cl
• Title of publication: Geminal Tetraauration of Acetonitrile: Hemilabile-Phosphine-Stabilized Au8Ag4 Cluster Compounds
• Authors of publication: Xiao-Li Pei; Yang Yang; Zhen Lei; Quan-Ming Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 6435 - 6437
• a: 16.4701 ± 0.0008 Å
• b: 26.2361 ± 0.0011 Å
• c: 20.4873 ± 0.0008 Å
• α: 90°
• β: 113.624 ± 0.005°
• γ: 90°
• Cell volume: 8110.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No