Information card for entry 4345600

Structure parameters

• Formula: C4 H8 Ag2 B12 Cl8 F12
• Calculated formula: C4 H8 Ag2 B12 Cl8 F12
• SMILES: [B]1234([B]567([B]891(F)[B]1%10%11([B]%1268([B]681([B]1%13%10([B]%103([B]325([B]7%126([B]8%13%103F)F)F)([B]49%111F)F)F)F)F)F)F)F.C1[Cl][Ag]2([Cl]1)[Cl]C[Cl]2.C1[Cl][Ag]2([Cl]1)[Cl]C[Cl]2
• 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: 10.6082 ± 0.0004 Å
• b: 10.3304 ± 0.0004 Å
• c: 11.6143 ± 0.0005 Å
• α: 90°
• β: 97.762 ± 0.002°
• γ: 90°
• Cell volume: 1261.11 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0182
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No