Information card for entry 7701086

Structure parameters

• Formula: C60 H34 B2 F30 N2 Na O3
• Calculated formula: C60 H34 B2 F30 N2 Na O3
• SMILES: [B]([n]1c(c2ccccc2)n([B](c2c(F)c(F)c(F)c(F)c2F)(c2c(c(c(c(c2F)F)F)F)F)c2c(F)c(c(F)c(F)c2F)F)c2c1cccc2)(c1c(c(c(c(c1[F]1)[F][Na]1([O]1CCCC1)[OH2])F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(CC)CCC.C1CCCO1
• Title of publication: Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability.
• Authors of publication: Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14138 - 14155
• a: 15.0906 ± 0.0012 Å
• b: 16.8592 ± 0.0013 Å
• c: 23.0499 ± 0.0018 Å
• α: 90°
• β: 99.144 ± 0.002°
• γ: 90°
• Cell volume: 5789.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.11 K
• Number of distinct elements: 7
• 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: 0.167
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.3338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No