Information card for entry 4345909

Structure parameters

• Formula: C8 H12 Ag2 B12 F12 N4
• Calculated formula: C8 H12 Ag2 B12 F12 N4
• SMILES: [B]1234([B]567(F)[B]89%10([B]%11%12%13([B]%14%15%16([B]%17%18%12([B]1%14([B]12%17(F)[B]8%11%18(F)[B]3591F)(F)[B]46%15([B]7%10%13%16F)F)F)F)F)F)F.C(C)#[N][Ag][N]#CC.[Ag]([N]#CC)[N]#CC
• Title of publication: Exceptional Structural Compliance of the B12F12(2-) Superweak Anion.
• Authors of publication: Peryshkov, Dmitry V.; Strauss, Steven H.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 4072 - 4083
• a: 11.4426 ± 0.0007 Å
• b: 13.6213 ± 0.0007 Å
• c: 15.6534 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No