Information card for entry 4301271

Structure parameters

• Formula: C10 H33 B18 Co N2
• Calculated formula: C10 H33 B18 Co N2
• SMILES: [Co]12345678([BH]9%10%11[CH]%12%131[BH]1%14%15[BH]%16%17%18[BH]%19%201[BH]1%21%17[BH]9%19([BH]%10%13%15%20)[BH]5%111[BH]7%18%21[CH]2%12%14%16)[CH]125[BH]79%10[BH]%1141[BH]143[BH]3%12%13[BH]%14%15%16[BH]29([BH]%10%12%14[BH]7%1113)[CH]65%15[BH]84%13%16.n1(c[n+](C)cc1)CC
• Title of publication: Ionic Liquids Containing Boron Cluster Anions
• Authors of publication: Mark Nieuwenhuyzen; Kenneth R. Seddon; Francesc Teixidor; Alberto V. Puga; Clara Viñas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 889 - 901
• a: 10.5411 ± 0.001 Å
• b: 20.8825 ± 0.0018 Å
• c: 10.63 ± 0.001 Å
• α: 90°
• β: 96.874 ± 0.001°
• γ: 90°
• Cell volume: 2323.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No